HCID117622912

4-[(2-{4-[5-Chloro-2-(trifluoromethoxy)phenyl]-5-cyano-2-oxopyridin-1(2H)-yl}propanoyl)amino]benzoic acid

4-[2-[4-[5-chloro-2-(trifluoromethoxy)phenyl]-5-cyano-2-oxo-1-pyridinyl]propanoylamino]benzoic acid

C23H15ClF3N3O5505.8 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C(=O)Nc1ccc(C(=O)O)cc1)n1cc(C#N)c(-c2cc(Cl)ccc2OC(F)(F)F)cc1=O
InChIKey: QLPHQTBYWTUCHR-UHFFFAOYSA-N
分子式: C23H15ClF3N3O5
平均分子量: 505.8 g/mol
单同位素质量: 505.0652328

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 120 Å²
氢键供体: 2
氢键受体: 9
可旋转键: 6
重原子: 35
形式电荷: 0
复杂度: 965

ALIASES

名称与别名

共 5 条

4-[(2-{4-[5-Chloro-2-(trifluoromethoxy)phenyl]-5-cyano-2-oxopyridin-1(2H)-yl}propanoyl)amino]benzoic acidCHEMBL3892107SCHEMBL16138247BDBM246146US9434690, 51

REACTIONS

参与反应

1 条

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

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