기본 정보
- CAS
421572-59-0- 표준 SMILES
COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)C3c2ccccc2OC(C)C)cc1OC- InChIKey
NMKLHNULNAUQMP-UHFFFAOYSA-N- 분자식
- C31H37NO6
- 평균 분자량
- 519.6 g/mol
이름 및 식별자
- 우선 이름
- Propan-2-yl 7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- propan-2-yl 7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- isopropyl 7-(3,4-dimethoxyphenyl)-4-(2-isopropoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C31H37NO6
- 분자량
- 519.63
이름 및 동의어
propan-2-yl 7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateisopropyl 7-(3,4-dimethoxyphenyl)-4-(2-isopropoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateChemDivAM_000535ChemDiv1_009144Oprea1_222940Oprea1_520876HMS612P14STK055063AKOS000537954AKOS021998626propan-2-yl 7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateST50253992
이름 더 보기
3-Quinolinecarboxylic acid, 7-(3,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-4-[2-(1-methylethoxy)phenyl]-5-oxo-, 1-methylethyl ester
AG-690/40749830SR-01000480988SR-01000480988-1methylethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-[2-(methylethoxy)phenyl]-5-oxo- 1,4,6,7,8-pentahydroquinoline-3-carboxylate
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 83.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 937
물리화학적 성질
- 끓는 점
- 633.5 · 633.5±55.0 °C(Predicted)
- 밀도
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.14 · 1.14±0.70(Predicted)
화학 및 산업
공급사2 곳
SPECS[email protected]
VITAS-BB—
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