기본 정보
- CAS
421572-71-6- 표준 SMILES
COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)C3c2cccc(C)c2)cc1OC- InChIKey
GDWCEWASJYQVSY-UHFFFAOYSA-N- 분자식
- C29H33NO5
- 평균 분자량
- 475.6 g/mol
이름 및 식별자
- 우선 이름
- Propan-2-yl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- propan-2-yl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- isopropyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C29H33NO5
- 분자량
- 475.57602
이름 및 동의어
propan-2-yl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateOprea1_298973Oprea1_687830GNF-Pf-5572CHEMBL578950STK025110AKOS000537819AKOS021998637CCG-110659propan-2-yl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateEU-0043595ST50009874
이름 더 보기
AG-690/40696416SR-01000481001SR-01000481001-1isopropyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylatemethylethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-1,4,6,7, 8-pentahydroquinoline-3-carboxylate
데이터베이스 식별자
- CAS
421572-71-6- ChEMBL
CHEMBL578950
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 73.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 874
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