C17h9n3o6 thymivie, α -oxo- α - [tekano) amino] - (aci)
Nomoro ea ho re ngolisa
94422668-1
Thepa ea bohlokoa ea 'mele | Boleng | Boemo |
Boima ba Molecular | 361.315 | - |
Mabenyane (a boletsoeng esale pele) | 1.459 ± 0.06 g / cm3 | Temp: 20 ° C; Tobetsa: 760 Torr |
pka (e boletsoeng esale pele) | 8.27 ± 0.10 | Boholo ba tempele ea acidic: 25 ° C |
Cannonical smiles
O = C1N (= O) n (c = C1c (= O) ncc = 2c = cc2) c3
Isomerica e bososela
O = C1n ([C1n ([C @@ H] 2o [C @ H] (C @ H] (CO)
Inchi
Inchi = 1s / c1y19n3o6 / c21-9-13 (22-14) 20 (23--5,82) H2, (h, (H, 18,23) (H, 19,24,25) / t15-, 14 +, 14 + / M0 / S1
Senotlolo sa Inchi
Vbrygcuexfm-bfhyxjousa-n
Mabitso a mang a 3 bakeng sa ntho ena
α -oxo-α - [0 (Phenylmethyl) amino] Amino] moeh (Bndu); 7: Pn: Wo2020081510 seqid: 7 e tummeng
Thepa e fumanehang
Sa tlhaho
Lik'hemik'hale
Letsoalo
LIPINSSKI
Sebopeho se amanang le
Thepa | Boleng | Boemo | Mohloli |
Linkho tsa BioCentration | 1.0 | ph 1; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.0 | ph 2; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.0 | ph 3; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.0 | PH 4; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.0 | ph 5; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.0 | PH 6; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.0 | PH 7; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.0 | 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 18.3 ph 1; Temp: 25 ° C (1) ACD |
Koc 18.3 ph 2; Temp: 25 ° C (1) ACD |
Koc 18.3 ph 3; Temp: 25 ° C (1) ACD |
Koc 18.3 ph 4; Temp: 25 ° C (1) ACD |
Koc 18.3 ph 5; Temp: 25 ° C (1) ACD |
Koc 18, ph 6; Temp: 25 ° C (1) ACD |
Koc 16.: ph 7; Temp: 25 ° C (1) ACD |
Koc 8.56 ph 8; Temp: 25 ° C (1) ACD |
Koc 1.62 ph 9; Temp: 25 ° C (1) ACD |
Koc 1.0 ph 10; Temp: 25 ° C (1) ACD |
logd -0.21 ph 1; Temp: 25 ° C (1) ACD |
logd -0.21 ph 2; Temp: 25 ° C (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
logd | -0.21 | ph 3; TEMP: 25 ° C | (1) ACD |
logd | -0.21 | PH 4; TEMP: 25 ° C | (1) ACD |
logd | -0.21 | ph 5; TEMP: 25 ° C | (1) ACD |
logd | -0.22 | PH 6; TEMP: 25 ° C | (1) ACD |
logd | -0.26 | PH 7; TEMP: 25 ° C | (1) ACD |
logd | -0.54 | PH 8; TEMP: 25 ° C | (1) ACD |
logd | -1.26 | ph 9; TEMP: 25 ° C | (1) ACD |
logd | -1.95 | ph 10; TEMP: 25 ° C | (1) ACD |
Logp | -0.212 ± 0.585 | TEMP: 25 ° C | (1) ACD |
Mass Interrincic solubility | 0.13 g / l | TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 0.13 g / l | ph 1; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 0.13 g / l | ph 2; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 0.13 g / l | ph 3; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 0.13 g / l | PH 4; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 0.13 g / l | ph 5; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 0.14 g / l | PH 6; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 0.15 g / l | PH 7; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 0.29 g / l | PH 8; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 1.5 g / l | ph 9; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 7.2 g / l | ph 10; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 0.14 g / l | Phoso e sa sebetsoeng ea Ph 5.68; TEMP: 25 ° C | (1) ACD |
Molala oa Molala oa Molala | 3.7 x 10-4 mol / l | TEMP: 25 ° C | (1) ACD |
Molala ea lla | 3.7 x 10-4 mol / l | ph 1; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 3.7 x 10-4 mol / l | ph 2; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 3.7 x 10-4 mol / l | ph 3; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 3.7 x 10-4 mol / l | PH 4; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 3.7 x 10-4 mol / l | ph 5; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 3.8 x 10-4 mol / l | PH 6; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 4.2 x 10-4 mol / l | PH 7; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 8.0 x 10-4 mol / l | PH 8; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 4.2 x 10-3 mol / L | ph 9; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 0.020 Mol / L | ph 10; TEMP: 25 ° C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
Molala ea lla | 3.8 x 10-4 mol / l | Phoso e sa sebetsoeng ea Ph 5.68; TEMP: 25 ° C | (1) ACD |
Boima ba Molecular | 361.315 | ||
pka | 8.27 ± 0.10 | Boholo ba tempele ea acidic: 25 ° C | (1) ACD |
pka | -1.66 ± 0.20 | Boholo ba mosebetsi oa mantlha: 25 ° C | (1) ACD |
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Thepa | Boleng | Boemo | Mohloli |
Letsoalo | 1.459 ± 0.06 g / cm3 | Temp: 20 ° C; Tobetsa: 760 Torr | (1) ACD |
Molumo oa Molalar | 247.5 ± 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 | -0.212 ± 0.585 | TEMP: 25 ° C | (1) ACD |
Boima ba Molecular | 361.315 |
.
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