HCID71217358

4-Methanesulfonyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (7-chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-amide

N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(4-methylsulfonylpiperidin-1-yl)pyridine-3-carboxamide

C28H27ClN4O4S551.1 g/mol

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IDENTITY

结构与身份

标准SMILES: CS(=O)(=O)C1CCN(c2ccc(C(=O)NCc3cn(-c4ccccc4)c4cc(Cl)ccc4c3=O)cn2)CC1
InChIKey: VELSDPZUMACNNA-UHFFFAOYSA-N
分子式: C28H27ClN4O4S
平均分子量: 551.1 g/mol
单同位素质量: 550.1441542

COMPUTED

结构计算性质

已同步

XLogP: 4.5
极性表面积: 108 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 6
重原子: 38
形式电荷: 0
复杂度: 1,000

ALIASES

名称与别名

共 6 条

CHEMBL3679489SCHEMBL14617121VELSDPZUMACNNA-UHFFFAOYSA-NBDBM100509US8501732, I-694-Methanesulfonyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (7-chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-amide

REACTIONS