N-(4-chlorobenzyl)-2-(((2-hydroxy-2-(4-hydroxyphenyl)ethyl)(methyl)amino)methyl)-7-methyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamide

HCID 10029378
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기본 정보

표준 SMILES
CN(Cc1cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c2s1)CC(O)c1ccc(O)cc1
InChIKey
MPOUGMGHBDTSGY-UHFFFAOYSA-N
분자식
C26H26ClN3O4S
평균 분자량
512 g/mol

이름 및 식별자

우선 이름
N-(4-chlorobenzyl)-2-(((2-hydroxy-2-(4-hydroxyphenyl)ethyl)(methyl)amino)methyl)-7-methyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamide
IUPAC
N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methylamino]methyl]-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide

이름 및 동의어

CHEMBL396572N-(4-chlorobenzyl)-2-(((2-hydroxy-2-(4-hydroxyphenyl)ethyl)(methyl)amino)methyl)-7-methyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamideSCHEMBL6683832MPOUGMGHBDTSGY-UHFFFAOYSA-NBDBM50210606N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methyl-amino]methyl]-7-methyl-4-oxo-thieno[2,3-b]pyridine-5-carboxamiderac-n-(4-chlorobenzyl)-2-(((2-hydroxy-2-(4-hydroxyphenyl)ethyl)(methyl)amino)-methyl)-7-methyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamide

데이터베이스 식별자

PubChem CID
10029378
ChEMBL
CHEMBL396572

물성

구조 계산 물성

XLogP
4.2
극성 표면적
121 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
7
회전 가능 결합 수
8
무거운 원자 수
35

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