N-(4-chlorobenzyl)-2-{[[2-hydroxy-2-(3,4,5-trifluorophenyl)ethyl](methyl)amino]methyl}-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide
기본 정보
- 표준 SMILES
Cc1c(CN(C)CC(O)c2cc(F)c(F)c(F)c2)sc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c12- InChIKey
URKNHLRZWDBAQE-UHFFFAOYSA-N- 분자식
- C27H25ClF3N3O3S
- 평균 분자량
- 564 g/mol
이름 및 식별자
- 우선 이름
- N-(4-chlorobenzyl)-2-{[[2-hydroxy-2-(3,4,5-trifluorophenyl)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-(3,4,5-trifluorophenyl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
이름 및 동의어
SCHEMBL6320609URKNHLRZWDBAQE-UHFFFAOYSA-NN-(4-chlorobenzyl)-2-{[[2-hydroxy-2-(3,4,5-trifluorophenyl)ethyl](methyl)amino]methyl}-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide
데이터베이스 식별자
- PubChem CID
- 22574401
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 881
관련 반응
2건
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