Ethyl 2-amino-4-(5-bromo-2-thienyl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
기본 정보
- CAS
311798-52-4- 표준 SMILES
CCOC(=O)C1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CC(C)(C)C2)C1c1ccc(Br)s1- InChIKey
JNMJVSIKIYLBBM-UHFFFAOYSA-N- 분자식
- C25H24BrF3N2O3S
- 평균 분자량
- 569.4 g/mol
- 단동위원소 질량
- 568.06431
이름 및 식별자
- 우선 이름
- Ethyl 2-amino-4-(5-bromo-2-thienyl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- IUPAC
- ethyl 2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carboxylate
- 영어명
- ethyl 2-amino-4-(5-bromo-2-thienyl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C25H24BrF3N2O3S
- 분자량
- 569.4338696
이름 및 동의어
ethyl 2-amino-4-(5-bromo-2-thienyl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateMFCD01240573STK674027AKOS001708124AKOS022014241ethyl 2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carboxylateST047126ZINC000002188625ZINC000002188626AG-205/37022138SR-01000518595SR-01000518595-1
이름 더 보기
CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(S3)Br)C(=O)CC(C2)(C)C)C4=CC=CC=C4C(F)(F)F)Nethyl 2-amino-4-(5-bromo(2-thienyl))-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl) phenyl]-1,4,6,7,8-pentahydroquinoline-3-carboxylateethyl2amino4(5bromothiophen2yl)77dimethyl5oxo1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylateETHYL2AMINO4(5BROMOTHIOPHEN2YL)77DIMETHYL5OXO1(2(TRIFLUOROMETHYL)PHENYL)68DIHYDRO4HQUINOLINE3CARBOXYLATE
데이터베이스 식별자
- CAS
311798-52-4- PubChem CID
- 3863914
- EC Number
- 135-194-7
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 949
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