기본 정보
- CAS
438467-98-2- 표준 SMILES
COc1ccc(-c2nc3ccccc3c(C(=O)Nc3sc4c(c3C(=O)OC(C)C)CCCCC4)c2C)cc1- InChIKey
XZYDZUVVENHKNI-UHFFFAOYSA-N- 분자식
- C31H32N2O4S
- 평균 분자량
- 528.7 g/mol
- 단동위원소 질량
- 528.20827868
이름 및 식별자
- 우선 이름
- isopropyl 2-({[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- IUPAC
- propan-2-yl 2-[[2-(4-methoxyphenyl)-3-methylquinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- 영어명
- isopropyl 2-({[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- 분자식
- C31H32N2O4S
- 분자량
- 528.66178
이름 및 동의어
isopropyl 2-({[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateAK-968/15252254STK451089AKOS003285706propan-2-yl 2-[[2-(4-methoxyphenyl)-3-methylquinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateST50926562methylethyl 2-{[2-(4-methoxyphenyl)-3-methyl-4-quinolyl]carbonylamino}-4,5,6,7 ,8-pentahydrocyclohepta[1,2-b]thiophene-3-carboxylatepropan-2-yl 2-({[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
데이터베이스 식별자
- CAS
438467-98-2- PubChem CID
- 4150548
물성
구조 계산 물성
- XLogP
- 8
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 816
화학 및 산업
공급사1 곳
SPECS[email protected]
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