HCID2055

2-cyano-3-(3,4-dihydroxyphenyl)-N-phenyl-2-propenamide

2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-2-enamide

C16H12N2O3280.28 g/mol

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IDENTITY

结构与身份

标准SMILES: N#CC(=Cc1ccc(O)c(O)c1)C(=O)Nc1ccccc1
InChIKey: HKHOVJYOELRGMV-UHFFFAOYSA-N
分子式: C16H12N2O3
平均分子量: 280.28 g/mol
单同位素质量: 280.08479225

COMPUTED

结构计算性质

已同步

XLogP: 2.7
极性表面积: 93.4 Å²
氢键供体: 3
氢键受体: 4
可旋转键: 3
重原子: 21
形式电荷: 0
复杂度: 446

ALIASES

名称与别名

共 12 条

MFCD00209863AG-494;AG494;Tyrphostin AG 4942-Propenamide, 2-cyano-3-(3,4-dihydroxyphenyl)-N-phenyl-SCHEMBL1704988SCHEMBL29766990HKHOVJYOELRGMV-UHFFFAOYSA-NHMS3266B19HMS3374K07N-Phenyl-alpha-cyano-3,4-dihydroxycinnamamideQ271643222-cyano-3-(3,4-dihydroxyphenyl)-N-phenyl-2-propenamide2-cyano-3-(3,4-dihydroxyphenyl)-N-phenyl-prop-2-enamide

REACTIONS

参与反应

3 条

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2005_07 · 10.6084/m9.figshare.5104873.v1 · USRE038761E1

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uspto-grants-1993_06 · 10.6084/m9.figshare.5104873.v1 · US05217999

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