HCID69020215

4-cyano-5-ethyl-1-methyl-3-{4-[1-methyl-2-(propane-2-sulfonylamino)-ethyl]-phenyl}-1H-pyrrole-2-carboxylic acid ethyl ester

ethyl 4-cyano-5-ethyl-1-methyl-3-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]pyrrole-2-carboxylate

C23H31N3O4S445.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1c(-c2ccc(C(C)CNS(=O)(=O)C(C)C)cc2)c(C#N)c(CC)n1C
InChIKey: QYTXNWHGMVFBOX-UHFFFAOYSA-N
分子式: C23H31N3O4S
平均分子量: 445.6 g/mol
单同位素质量: 445.20352765

COMPUTED

结构计算性质

等待补全

XLogP: 3.9
极性表面积: 110 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 10
重原子: 31
形式电荷: 0
复杂度: 747

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 3 条

SCHEMBL4373092QYTXNWHGMVFBOX-UHFFFAOYSA-N4-cyano-5-ethyl-1-methyl-3-{4-[1-methyl-2-(propane-2-sulfonylamino)-ethyl]-phenyl}-1H-pyrrole-2-carboxylic acid ethyl ester

REACTIONS