Name: Pecavaptan
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220912756
Cas No:1914998-56-3
常用名:Pecavaptan
IUPAC:3-(4-chlorophenyl)-1-{[1-(3-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-1H-1,2,4-triazol-3-yl]methyl}-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
IUPAC:3-(4-chlorophenyl)-1-{[1-(3-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-1H-1,2,4-triazol-3-yl]methyl}-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
InChI key:InChIKey=AZXOTZCWQDJCLY-SJCJKPOMSA-N

分子式:C22H19Cl2F3N6O3
分子量:543.33
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H](O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1
SMILES:C[C@H](O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1

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