HCID10078663

5-n-Butyl-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]biphenyl-4-yl]methyl]-2-[2-chloro-5-(valerylamino)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

N-[2-[4-[[3-butyl-1-[2-chloro-5-(pentanoylamino)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-chlorobenzamide

C37H37Cl2N5O5S734.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCCC(=O)Nc1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3)c2=O)c1
InChIKey: GRNGGZASPSJYFR-UHFFFAOYSA-N
分子式: C37H37Cl2N5O5S
平均分子量: 734.7 g/mol
单同位素质量: 733.1892459

COMPUTED

结构计算性质

已同步

XLogP: 7.8
极性表面积: 137 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 14
重原子: 50
形式电荷: 0
复杂度: 1,300

ALIASES

名称与别名

共 6 条

CHEMBL96075SCHEMBL9146225GRNGGZASPSJYFR-UHFFFAOYSA-NBDBM500354475-n-Butyl-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]biphenyl-4-yl]methyl]-2-[2-chloro-5-(valerylamino)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-onePentanoic acid (3-{3-butyl-4-[2''-(2-chloro-benzoylsulfamoyl)-biphenyl-4-ylmethyl]-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl}-4-chloro-phenyl)-amide

REACTIONS