HCID16058697

4-(2-(5-bromo-4-(7-methoxy-4-methylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetamido)-3-chlorobenzoic acid

4-[[2-[[5-bromo-4-(7-methoxy-4-methylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-chlorobenzoic acid

C23H18BrClN4O4S561.8 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc2c(C)ccc(-n3c(Br)nnc3SCC(=O)Nc3ccc(C(=O)O)cc3Cl)c2c1
InChIKey: ZDLCTHSOPGEYMR-UHFFFAOYSA-N
分子式: C23H18BrClN4O4S
平均分子量: 561.8 g/mol
单同位素质量: 559.99207

COMPUTED

结构计算性质

已同步

XLogP: 5.6
极性表面积: 132 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 7
重原子: 34
形式电荷: 0
复杂度: 739

ALIASES

名称与别名

共 6 条

4-(2-(5-bromo-4-(7-methoxy-4-methylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetamido)-3-chlorobenzoic acid4-[2-(5-bromo-4-[7-methoxy-4-methylnaphthalen-1-yl]-4H-1,2,4-triazol-3-ylthio)acetamido]-3-chlorobenzoic acidSCHEMBL248911ZDLCTHSOPGEYMR-UHFFFAOYSA-N4-[[2-[[5-bromo-4-(7-methoxy-4-methyl-1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-chloro-benzoic acidBenzoic acid, 4-[[[[5-bromo-4-(4-methyl-7-methoxy-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-chloro-

REACTIONS