N-(4-chlorobenzyl)-2-{[[2-hydroxy-2-(4-hydroxyphenyl)ethyl](methyl)amino]methyl}-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide (HCID 10289450)

기본 정보

표준 SMILES: Cc1c(CN(C)CC(O)c2ccc(O)cc2)sc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c12
InChIKey: LJNTWCVADOVPNJ-UHFFFAOYSA-N
분자식: C27H28ClN3O4S
평균 분자량: 526 g/mol

이름 및 식별자

우선 이름: N-(4-chlorobenzyl)-2-{[[2-hydroxy-2-(4-hydroxyphenyl)ethyl](methyl)amino]methyl}-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide
IUPAC: N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide

이름 및 동의어

CHEMBL233612SCHEMBL6325902LJNTWCVADOVPNJ-UHFFFAOYSA-NBDBM50614678N-(4-chlorobenzyl)-2-{[[2-hydroxy-2-(4-hydroxyphenyl)ethyl](methyl)amino]methyl}-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide

데이터베이스 식별자

PubChem CID: 10289450
ChEMBL: CHEMBL233612

물성

구조 계산 물성

XLogP: 4.6
극성 표면적: 121 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 7
회전 가능 결합 수: 8
무거운 원자 수: 36
형식 전하: 0
복잡도: 813

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