ethyl 2-[2-amino-4-(5-bromothiophen-2-yl)-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
기본 정보
- CAS
311798-61-5- 표준 SMILES
CCOC(=O)c1c(N2C(N)=C(C#N)C(c3ccc(Br)s3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2- InChIKey
XJZQDOQEOLMGHF-UHFFFAOYSA-N- 분자식
- C27H28BrN3O3S2
- 평균 분자량
- 586.6 g/mol
이름 및 식별자
- 우선 이름
- ethyl 2-[2-amino-4-(5-bromothiophen-2-yl)-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-[2-amino-4-(5-bromothiophen-2-yl)-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- ethyl 2-[2-amino-4-(5-bromo-2-thienyl)-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 분자식
- C27H28BrN3O3S2
- 분자량
- 586.56352
이름 및 동의어
ethyl 2-[2-amino-4-(5-bromo-2-thienyl)-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-[2-amino-4-(5-bromothiophen-2-yl)-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateSTK757320AKOS001701842AKOS022012982ethyl 2-[2-amino-4-(5-bromothiophen-2-yl)-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAG-205/37049047SR-01000518605SR-01000518605-1ETHYL 2-[2-AMINO-4-(5-BROMOTHIOPHEN-2-YL)-3-CYANO-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLIN-1-YL]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
데이터베이스 식별자
- CAS
311798-61-5
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 153 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 1,060
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