기본 정보
- CAS
397875-37-5- 표준 SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(OCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1- InChIKey
RWMYOLWXMUBMTQ-UHFFFAOYSA-N- 분자식
- C27H25F3N2O6
- 평균 분자량
- 530.5 g/mol
이름 및 식별자
- 우선 이름
- ethyl 2-methyl-4-[3-nitro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- IUPAC
- ethyl 2-methyl-4-[3-nitro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- ethyl 4-(3-nitro-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C27H25F3N2O6
- 분자량
- 530.4924096
이름 및 동의어
ethyl 2-methyl-4-(3-nitro-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateAK-968/40604174STL173098AKOS003264947ethyl 2-methyl-4-[3-nitro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateST028584ETHYL 2-METHYL-4-(3-NITRO-4-{[3-(TRIFLUOROMETHYL)BENZYL]OXY}PHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXYLATEethyl 2-methyl-4-(3-nitro-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-5-oxo- 1,4,6,7,8-pentahydroquinoline-3-carboxylateethyl 4-(3-nitro-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
데이터베이스 식별자
- CAS
397875-37-5
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 1,000
화학 및 산업
공급사1 곳
SPECS[email protected]
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