Ethyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
기본 정보
- CAS
352687-94-6- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)sc2c1CCCCCC2- InChIKey
HFDBXXKAQRCVRG-UHFFFAOYSA-N- 분자식
- C31H32N2O3S
- 평균 분자량
- 512.7 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
- 영어명
- ethyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
- 분자식
- C31H32N2O3S
- 분자량
- 512.66238
이름 및 동의어
ethyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylateSTK419129AKOS003270888ethyl 2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylateAK-968/12163002ETHYL 2-({[2-(2,4-DIMETHYLPHENYL)-4-QUINOLYL]CARBONYL}AMINO)-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIOPHENE-3-CARBOXYLATEethyl 2-({[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
데이터베이스 식별자
- CAS
352687-94-6
물성
구조 계산 물성
- XLogP
- 8.5
- 극성 표면적
- 96.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 792
관련 반응
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