기본 정보
- CAS
380647-22-3- 표준 SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1- InChIKey
ZGRCGTNOIROAAS-UHFFFAOYSA-N- 분자식
- C30H32F3NO5
- 평균 분자량
- 543.6 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- IUPAC
- ethyl 4-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
- 영어명
- ethyl 4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C30H32F3NO5
- 분자량
- 543.57
이름 및 동의어
ethyl 4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateAE-848/15341078STL173045AKOS003264835ethyl 4-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylateST028608ethyl 4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateethyl 4-(3-methoxy-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-2,7,7-trimeth yl-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2,7,7-trimethyl-5-oxo-, ethyl ester
데이터베이스 식별자
- CAS
380647-22-3
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 73.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,000
물리화학적 성질
- 끓는 점
- 609.6 · 609.6±55.0 °C(Predicted)
- 밀도
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.28 · 1.28±0.70(Predicted)
화학 및 산업
공급사1 곳
SPECS[email protected]
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