기본 정보
- CAS
421571-64-4- 표준 SMILES
COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)C3c2cccc(C)c2)cc1OC- InChIKey
DBDUBILUJKEQGK-UHFFFAOYSA-N- 분자식
- C31H35NO5
- 평균 분자량
- 501.6 g/mol
- 단동위원소 질량
- 501.25152322
이름 및 식별자
- 우선 이름
- Cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C31H35NO5
- 분자량
- 501.61
이름 및 동의어
cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylatecyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_389302Oprea1_534397GNF-Pf-3440CHEMBL582277STK088219AKOS000537662AKOS021998511cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateEU-0076913ST50009779
이름 더 보기
3-Quinolinecarboxylic acid, 7-(3,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-4-(3-methylphenyl)-5-oxo-, cyclopentyl ester
AG-690/40749278SR-01000480865SR-01000480865-1cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-1,4,6,7, 8-pentahydroquinoline-3-carboxylate
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 73.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 932
물리화학적 성질
- 끓는 점
- 646.2 · 646.2±55.0 °C(Predicted)
- 밀도
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.01 · 1.01±0.70(Predicted)
화학 및 산업
공급사2 곳
SPECS[email protected]
VITAS-BB—
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