C21h21N3O6 Thymivie, α - [1-nafthalenylmethyl) amino] - α -oxo- (aci)

sehlahisoa

C21h21N3O6 Thymivie, α - [1-nafthalenylmethyl) amino] - α -oxo- (aci)

Tlhahisoleseling ea mantlha:


Lintlha tsa sehlahisoa

Li-tag tsa lihlahisoa

Lintlha tsa ntho

Nomoro ea ho re ngolisa

1262015-90-6-6-6-6-6-6-6-6-6-6-6-6-6-6-6-6-6-6-6-6-6-6-6-6-6-

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

Mabitso a mang le khethollo

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

Sa tlhaho

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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Lik'hemik'hale

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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Letsoalo

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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LIPINSSKI

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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Sebopeho se amanang le

Thepa Boleng Mohloli oa Boemo
Sebaka sa polar. 128 A2 (1) ACD

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SIRCTRA e boletsoeng esale pele

Spectra e fumanehang
1 h nmr
13 c nmr


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