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

HCID 6482399

基本情報

標準SMILES
Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CO)sc21
InChIKey
ILJUQIULFPJEAZ-UHFFFAOYSA-N
分子式
C17H15ClN2O3S
平均分子量
362.8 g/mol

名称と識別子

優先名称
N-[(4-chlorophenyl)methyl]-2-(hydroxymethyl)-7-methyl-4-oxo-thieno[2,3-b]pyridine-5-carboxamide
IUPAC
N-[(4-chlorophenyl)methyl]-2-(hydroxymethyl)-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide

名称と別名

CHEMBL194259SCHEMBL6368853ILJUQIULFPJEAZ-UHFFFAOYSA-NBDBM501725302-Hydroxymethyl-7-methyl-4-oxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxylic acid 4-chloro-benzylamideN-(4-Chlorobenzyl)-2(hydroxymethyl)-7-methyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamideN-(4-Chlorobenzyl)-2-(hydroxymethyl)-7-methyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamideN-(4-chlorobenzyl)-2-(hydroxymethyl)-7-methyl-4-oxo4,7-dihydrothieno[2,3-b]pyridine-5-carboxamideN-[(4-chlorophenyl)methyl]-2-(hydroxymethyl)-7-methyl-4-oxo-thieno[2,3-b]pyridine-5-carboxamideThieno[2,3-b]pyridine-5-carboxamide, N-[(4-chlorophenyl)methyl]-4,7-dihydro-2-(hydroxymethyl)-7-methyl-4-oxo-

データベース識別子

PubChem CID
6482399
ChEMBL
CHEMBL194259

物性

構造計算による物性

XLogP
3
極性表面積
97.9 Ų
水素結合供与体数
2
水素結合受容体数
5
回転可能結合数
4
重原子数
24

関連反応

13 件

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