HCID69584082

2-Methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-5-(2-oxo-4-pyridin-3-yl-1,2-dihydroindol-3-ylidenemethyl)-1H-pyrrole-3-carboxylic Acid Ethyl Ester

ethyl 2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-5-[(2-oxo-4-pyridin-3-yl-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylate

C30H35N5O3513.6 g/mol

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IDENTITY

结构与身份

标准 SMILES: CCOC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cccc(-c4cccnc4)c32)c1CCCN1CCN(C)CC1
InChIKey: PZFLLFQTIKVJME-UHFFFAOYSA-N
分子式: C30H35N5O3
平均分子量: 513.6 g/mol
单同位素质量: 513.27399

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 90.6 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 9
重原子: 38
形式电荷: 0
复杂度: 857

ALIASES

名称与别名

共 3 条

SCHEMBL5829950PZFLLFQTIKVJME-UHFFFAOYSA-N2-Methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-5-(2-oxo-4-pyridin-3-yl-1,2-dihydroindol-3-ylidenemethyl)-1H-pyrrole-3-carboxylic Acid Ethyl Ester

REACTIONS