HCID67281969

2,4-Dimethyl-5-(2-oxo-5-(pyridin-3-ylsulfamoyl)-1,2-dihydroindol-3-ylidenemethyl]-1H-pyrrole-3-carboxylic acid (2-pyrrolidin-1-ylethyl)amide

2,4-dimethyl-5-[[2-oxo-5-(pyridin-3-ylsulfamoyl)-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide

C27H30N6O4S534.6 g/mol

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IDENTITY

结构与身份

标准 SMILES: Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc32)c(C)c1C(=O)NCCN1CCCC1
InChIKey: IWIFGFWLVXVCCR-UHFFFAOYSA-N
分子式: C27H30N6O4S
平均分子量: 534.6 g/mol
单同位素质量: 534.20492463

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 145 Å²
氢键供体: 4
氢键受体: 7
可旋转键: 8
重原子: 38
形式电荷: 0
复杂度: 1,010

ALIASES

名称与别名

共 5 条

2,4-Dimethyl-5-(2-oxo-5-(pyridin-3-ylsulfamoyl)-1,2-dihydroindol-3-ylidenemethyl]-1H-pyrrole-3-carboxylic acid (2-pyrrolidin-1-ylethyl)amide2,4-Dimethyl-5-[2-oxo-5-(pyridin-3-ylsulfamoyl)-1,2-dihydroindol-3-ylidenemethyl]-1H-pyrrole-3-carboxylic acid (2-pyrrolidin-1-ylethyl)amideSCHEMBL2116509IWIFGFWLVXVCCR-UHFFFAOYSA-N2,4-dimethyl-5- [2-oxo-5-(pyridin-3-ylsulfamoyl)-1,2-dihydroindol-3-ylidenemethyl] -1H-pyrrole-3-carboxylic acid (2-pyrrolidin-1-ylethyl) amide

REACTIONS