Name: VT-1598 tosylate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219570645
Cas No:2089321-00-4
常用名:VT-1598 tosylate
IUPAC:4-methylbenzene-1-sulfonic acid; 4-{[4-(2-{6-[(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1H-1,2,3,4-tetrazol-1-yl)propyl]pyridin-3-yl}ethynyl)phenoxy]methyl}benzonitrile
IUPAC:4-methylbenzene-1-sulfonic acid; 4-{[4-(2-{6-[(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1H-1,2,3,4-tetrazol-1-yl)propyl]pyridin-3-yl}ethynyl)phenoxy]methyl}benzonitrile
InChI key:GKPRUVVZIHFHMK-CZCBIWLKSA-N

分子式:C38H28F4N6O5S
分子量:756.73
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1ccc(cc1)S(O)(=O)=O.O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)C#Cc1ccc(OCc2ccc(cc2)C#N)cc1
SMILES:Cc1ccc(cc1)S(O)(=O)=O.O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)C#Cc1ccc(OCc2ccc(cc2)C#N)cc1

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