기본 정보
- CAS
421572-76-1- 표준 SMILES
COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)C3c2ccc(F)cc2)cc1OC- InChIKey
YYJNCXIYHAURDF-UHFFFAOYSA-N- 분자식
- C30H32FNO5
- 평균 분자량
- 505.6 g/mol
이름 및 식별자
- 우선 이름
- Cyclopentyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- IUPAC
- cyclopentyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- cyclopentyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C30H32FNO5
- 분자량
- 505.58
이름 및 동의어
cyclopentyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate421572-76-1cyclopentyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateOprea1_179594Oprea1_582787GNF-Pf-5145CHEMBL576811STK060733AKOS000537979AKOS021998640cyclopentyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateST50009881
이름 더 보기
3-Quinolinecarboxylic acid, 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, cyclopentyl ester
AG-690/40749843SR-01000481010SR-01000481010-1cyclopentyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,6,7, 8-pentahydroquinoline-3-carboxylate
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 73.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 930
물리화학적 성질
- 끓는 점
- 635 · 635.0±55.0 °C(Predicted)
- 밀도
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.84 · 0.84±0.70(Predicted)
화학 및 산업
공급사2 곳
SPECS[email protected]
VITAS-BB—
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