HCID6482397

N-[(4-chlorophenyl)methyl]-7-(2-hydroxyethyl)-2-(3-hydroxypropyl)-4-oxo-thieno[2,3-b]pyridine-5-carboxamide

N-[(4-chlorophenyl)methyl]-7-(2-hydroxyethyl)-2-(3-hydroxypropyl)-4-oxothieno[2,3-b]pyridine-5-carboxamide

C20H21ClN2O4S420.9 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(NCc1ccc(Cl)cc1)c1cn(CCO)c2sc(CCCO)cc2c1=O
InChIKey: ILSLXJXFTGBRED-UHFFFAOYSA-N
分子式: C20H21ClN2O4S
平均分子量: 420.9 g/mol
单同位素质量: 420.091056

COMPUTED

结构计算性质

已同步

XLogP: 3.2
极性表面积: 118 Å²
氢键供体: 3
氢键受体: 6
可旋转键: 8
重原子: 28
形式电荷: 0
复杂度: 595

ALIASES

名称与别名

共 9 条

CHEMBL195908SCHEMBL6706672ILSLXJXFTGBRED-UHFFFAOYSA-NBDBM501725347-(2-Hydroxy-ethyl)-2-(3-hydroxy-propyl)-4-oxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxylic acid 4-chloro-benzylamideN-(4-chlorobenzyl)-7-(2-hydroxyethyl)-2-(3-hydroxypropyl)-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamideN-(4-Chlorobenzyl)-7-(2-hydroxyethyl)-2-(3-hydroxypropyl)4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamideN-[(4-chlorophenyl)methyl]-7-(2-hydroxyethyl)-2-(3-hydroxypropyl)-4-oxo-thieno[2,3-b]pyridine-5-carboxamideThieno[2,3-b]pyridine-5-carboxamide, N-[(4-chlorophenyl)methyl]-4,7-dihydro-7-(2-hydroxyethyl)-2-(3-hydroxypropyl)-4-oxo-

REACTIONS

参与反应

2 条

uspto-grants-2001_05 · 10.6084/m9.figshare.5104873.v1 · US06239142B1

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uspto-grants-2002_12 · 10.6084/m9.figshare.5104873.v1 · US06495683B2

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