C21h21N3O6 Thymivie, α - [1-nafthalenylmethyl) amino] - α -oxo- (aci)
Nomoro ea ho re ngolisa
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Thepa ea bohlokoa ea 'mele | Boleng | Boemo |
Boima ba Molecular | 411.41 | - |
Mabenyane (a boletsoeng esale pele) | 1.460 ± 0.06 g / cm3 | Temp: 20 ° C; Tobetsa: 760 Torr |
pka (e boletsoeng esale pele) | 8.23 ± 0.10 | Boholo ba tempele ea acidic: 25 ° C |
Cannonical smiles
O = C1N (= O) n (c = C1C (= O) ncc2 = cc = 3 = cc = 3,) c4
Isomerica e bososela
O = c1n (c = c (c (c (c (c (c (c (c (c (c (c.9
Inchi
Inchi = 1S / c21h21n3o6 / c25-16 (26-18 (20-11) 24) 24 / h1- 7,10 16-116,25-26H, 8-9,11 - 7,28,28,29) 17 + / M0 / M0 / S1
Senotlolo sa Inchi
Uudhoszawihgtb-rccfdprrsa-n
Mabitso a mang a 3 bakeng sa ntho ena
α - Naphthalenylmethyl) Amino] - α -Oxothmine (aci); (Napdu); 87: Pn: Wo2020081510 Seqid: 87 e tummeng ka tatellano
Thepa e fumanehang
Sa tlhaho
Lik'hemik'hale
Letsoalo
LIPINSSKI
Sebopeho se amanang le
Thepa | Boleng | Boemo | Mohloli |
Linkho tsa BioCentration | 3.23 | ph 1; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 3.23 | ph 2; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 3.23 | ph 3; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 3.23 | PH 4; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 3.23 | ph 5; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 3.19 | PH 6; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 2.85 | PH 7; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.40 | PH 8; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.0 | ph 9; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.0 | ph 10; TEMP: 25 ° C | (1) ACD |
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Mohloli oa Tlhaho ea Thepa ea Thepa |
Koc 80 80.5 ph 1; Temp: 25 ° C (1) ACD |
Koc 80 80.5 ph 2; Temp: 25 ° C (1) ACD |
Koc 80 80.5 ph 3; Temp: 25 ° C (1) ACD |
Koc 80 80.5 ph 4; Temp: 25 ° C (1) ACD |
Koc 80.4 ph 5; Temp: 25 ° C (1) ACD |
Koc 79.5 ph 6; Temp: 25 ° C (1) ACD |
Koc 78.1 ph 7; Temp: 25 ° C (1) ACD |
Koc 34.9 PH 8; Temp: 25 ° C (1) ACD |
Koc 6.35 ph 9; Temp: 25 ° C (1) ACD |
Koc 1.39 ph 10; Temp: 25 ° C (1) ACD |
logg 1 ph 1; Temp: 25 ° C (1) ACD |
logg 097 ph 2; Temp: 25 ° C (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
logd | 0.97 | ph 3; TEMP: 25 ° C | (1) ACD |
logd | 0.97 | PH 4; TEMP: 25 ° C | (1) ACD |
logd | 0.97 | ph 5; TEMP: 25 ° C | (1) ACD |
logd | 0.97 | PH 6; TEMP: 25 ° C | (1) ACD |
logd | 0.92 | PH 7; TEMP: 25 ° C | (1) ACD |
logd | 0.61 | PH 8; TEMP: 25 ° C | (1) ACD |
logd | -0.13 | ph 9; TEMP: 25 ° C | (1) ACD |
logd | -0.79 | ph 10; TEMP: 25 ° C | (1) ACD |
Logp | 0.973 ± 0.586 | TEMP: 25 ° C | (1) ACD |
Mass Interrincic solubility | 5.3 x 10-3 g / l | TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 5.3 x 10-3 g / l | ph 1; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 5.3 x 10-3 g / l | ph 2; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 5.3 x 10-3 g / l | ph 3; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 5.3 x 10-3 g / l | PH 4; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 5.3 x 10-3 g / l | ph 5; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 5.3 x 10-3 g / l | PH 6; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 5.8 x 10-3 g / l | PH 7; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 0.012 g / l | PH 8; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 0.066 g / l | ph 9; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 0.30 g / l | ph 10; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 5.3 x 10-3 g / l | Ph 6.37; TEMP: 25 ° C | (1) ACD |
Molala oa Molala oa Molala | 1.3 x 10-5 mol / L | TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.3 x 10-5 mol / L | ph 1; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.3 x 10-5 mol / L | ph 2; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.3 x 10-5 mol / L | ph 3; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.3 x 10-5 mol / L | PH 4; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.3 x 10-5 mol / L | ph 5; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.3 x 10-5 mol / L | PH 6; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.4 x 10-5 mol / l | PH 7; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 2.9 x 10-5 mol / l | PH 8; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.6 x 10-4 mol / l | ph 9; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 7.4 x 10-4 mol / l | ph 10; TEMP: 25 ° C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
Molala ea lla | 1.3 x 10-5 mol / L | Ph 6.37; TEMP: 25 ° C | (1) ACD |
Boima ba Molecular | 411.41 | ||
pka | 8.23 ± 0.10 | Boholo ba tempele ea acidic: 25 ° C | (1) ACD |
pka | -1.90 ± 0.20 | Boholo ba mosebetsi oa mantlha: 25 ° C | (1) ACD |
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Thepa | Boleng | Boemo | Mohloli |
Letsoalo | 1.460 ± 0.06 g / cm3 | Temp: 20 ° C; Tobetsa: 760 Torr | (1) ACD |
Molumo oa Molalar | 281.6 ± 3.0 cm3 / mol | Temp: 20 ° C; Tobetsa: 760 Torr | (1) ACD |
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Thepa | Boleng | Boemo | Mohloli |
Li-litlama tse potolohileng ka bolokolohi | 7 | (1) ACD | |
H | 9 | (1) ACD | |
H donors | 4 | (1) ACD | |
H donor / Canot | 13 | (1) ACD | |
Logp | 0.973 ± 0.586 | TEMP: 25 ° C | (1) ACD |
Boima ba Molecular | 411.41 |
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Thepa | Boleng | Mohloli oa Boemo |
Sebaka sa polar. | 128 A2 | (1) ACD |
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Spectra e fumanehang
1 h nmr
13 c nmr
Ngola molaetsa oa hau mona 'me u e romelle ho rona