HCID117622773

4-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]-3-(1,4-dioxan-2-yl)propanoyl}amino)benzoic acid

4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,4-dioxan-2-yl)propanoyl]amino]benzoic acid

C27H24ClN3O7537.9 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cn(C(CC2COCCO2)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N
InChIKey: BHLQGSGEFNRQIY-UHFFFAOYSA-N
分子式: C27H24ClN3O7
平均分子量: 537.9 g/mol
单同位素质量: 537.1302778

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 138 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 8
重原子: 38
形式电荷: 0
复杂度: 1,010

ALIASES

名称与别名

共 6 条

CHEMBL3917739SCHEMBL16138092BHLQGSGEFNRQIY-UHFFFAOYSA-NBDBM246201US9434690, 1064-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]-3-(1,4-dioxan-2-yl)propanoyl}amino)benzoic acid

REACTIONS

参与反应

1 条

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434690B2

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