N-(4-Chlorobenzyl)-2-{[[2-(5-cyanothien-2-yl)-2-hydroxyethyl](methyl)amino]methyl}-3-(hydroxymethyl)-4-methyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide
기본 정보
- 표준 SMILES
CN(Cc1sc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c2c1CO)CC(O)c1ccc(C#N)s1- InChIKey
VXPSDOFUJVTBTQ-UHFFFAOYSA-N- 분자식
- C26H25ClN4O4S2
- 평균 분자량
- 557.1 g/mol
이름 및 식별자
- 우선 이름
- N-(4-Chlorobenzyl)-2-{[[2-(5-cyanothien-2-yl)-2-hydroxyethyl](methyl)amino]methyl}-3-(hydroxymethyl)-4-methyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide
- IUPAC
- N-[(4-chlorophenyl)methyl]-2-[[[2-(5-cyanothiophen-2-yl)-2-hydroxyethyl]-methylamino]methyl]-3-(hydroxymethyl)-4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
이름 및 동의어
SCHEMBL6319783VXPSDOFUJVTBTQ-UHFFFAOYSA-NN-(4-Chlorobenzyl)-2-{[[2-(5-cyanothien-2-yl)-2-hydroxyethyl](methyl)amino]methyl}-3-(hydroxymethyl)-4-methyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide
데이터베이스 식별자
- PubChem CID
- 22574405
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 173 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 921
관련 반응
2건
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