HCID68297486

3-[(1-Benzyl-8-cyano-5-hydroxy-2-oxo-3-phenyl-1,2-dihydro-[1,7]naphthyridine-6-carbonyl)-amino]-2,2-dimethyl-propionic acid methyl ester

methyl 3-[(1-benzyl-8-cyano-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carbonyl)amino]-2,2-dimethylpropanoate

C29H26N4O5510.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)C(C)(C)CNC(=O)c1nc(C#N)c2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O
InChIKey: BLEHOQIKOGAZDZ-UHFFFAOYSA-N
分子式: C29H26N4O5
平均分子量: 510.5 g/mol
单同位素质量: 510.19031994

COMPUTED

结构计算性质

已同步

XLogP: 4.2
极性表面积: 133 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 8
重原子: 38
形式电荷: 0
复杂度: 973

ALIASES

名称与别名

共 3 条

SCHEMBL12502880BLEHOQIKOGAZDZ-UHFFFAOYSA-N3-[(1-Benzyl-8-cyano-5-hydroxy-2-oxo-3-phenyl-1,2-dihydro-[1,7]naphthyridine-6-carbonyl)-amino]-2,2-dimethyl-propionic acid methyl ester

REACTIONS

参与反应

4 条

uspto-grants-2016_03 · 10.6084/m9.figshare.5104873.v1 · US09271970B2

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uspto-grants-2016_03 · 10.6084/m9.figshare.5104873.v1 · US09271970B2

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uspto-grants-2014_12 · 10.6084/m9.figshare.5104873.v1 · US08921389B2

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uspto-grants-2014_12 · 10.6084/m9.figshare.5104873.v1 · US08921389B2

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