기본 정보
- CAS
398136-11-3- 표준 SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1- InChIKey
IPOLLYSFFDMDPJ-UHFFFAOYSA-N- 분자식
- C28H28F3NO5
- 평균 분자량
- 515.5 g/mol
이름 및 식별자
- 우선 이름
- ethyl 4-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- IUPAC
- ethyl 4-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- ethyl 4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C28H28F3NO5
- 분자량
- 515.5208296
이름 및 동의어
ethyl 4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateethyl 4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateAK-968/15342041STK968588ZINC00673598AKOS003264849AKOS022088899ethyl 4-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
데이터베이스 식별자
- CAS
398136-11-3
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 73.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 927
화학 및 산업
공급사1 곳
SPECS[email protected]
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