HCID71217366

2-Piperidin-1-yl-thiazole-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]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide

C25H23ClN4O2S479 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cnc(N2CCCCC2)s1
InChIKey: QDQDITYYFFISBH-UHFFFAOYSA-N
分子式: C25H23ClN4O2S
平均分子量: 479 g/mol
单同位素质量: 478.1230249

COMPUTED

结构计算性质

等待补全

XLogP: 5.9
极性表面积: 93.8 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 5
重原子: 33
形式电荷: 0
复杂度: 753

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 6 条

CHEMBL3679510SCHEMBL14617130QDQDITYYFFISBH-UHFFFAOYSA-NBDBM100531US8501732, I-912-piperidin-1-yl-thiazole-5-carboxylic acid (7-chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-amide

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-2013_08 · 10.6084/m9.figshare.5104873.v1 · US08501732B2

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