HCID71525780

2-{4-[(2R)-2-Hydroxy-2-(4-methyl-1-oxo-1,3-dihydro-2-benzofuran-5-yl)ethyl]-2-oxopiperazin-1-yl}-7-methylquinoline-6-carbonitrile

2-[4-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-oxopiperazin-1-yl]-7-methylquinoline-6-carbonitrile

C26H24N4O4456.5 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cc2nc(N3CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3=O)ccc2cc1C#N
InChIKey: RMELKZVCFDERJK-QHCPKHFHSA-N
分子式: C26H24N4O4
平均分子量: 456.5 g/mol
单同位素质量: 456.17975526

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 107 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 4
重原子: 34
形式电荷: 0
复杂度: 842

ALIASES

名称与别名

共 3 条

SCHEMBL16126780RMELKZVCFDERJK-QHCPKHFHSA-N2-{4-[(2R)-2-Hydroxy-2-(4-methyl-1-oxo-1,3-dihydro-2-benzofuran-5-yl)ethyl]-2-oxopiperazin-1-yl}-7-methylquinoline-6-carbonitrile

REACTIONS

参与反应

1 条

uspto-grants-2015_04 · 10.6084/m9.figshare.5104873.v1 · US08999991B2

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