기본 정보
- CAS
311798-67-1- 표준 SMILES
CCOC(=O)c1c(N2C(N)=C(C#N)C(c3ccc(C(C)(C)C)s3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2- InChIKey
UTAOUOZUGRIAAB-UHFFFAOYSA-N- 분자식
- C31H37N3O3S2
- 평균 분자량
- 563.8 g/mol
이름 및 식별자
- 우선 이름
- ethyl 2-[2-amino-4-(5-tert-butylthiophen-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-tert-butylthiophen-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-tert-butyl-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
- C31H37N3O3S2
- 분자량
- 563.77378
이름 및 동의어
ethyl 2-(2-amino-4-(5-tert-butyl-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-carboxylateSTK757324AKOS001702366ethyl 2-[2-amino-4-(5-tert-butylthiophen-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-205/37049112SR-01000518611SR-01000518611-1ETHYL 2-[2-AMINO-4-(5-TERT-BUTYLTHIOPHEN-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-CARBOXYLATEethyl 2-[2-amino-4-(5-tert-butylthiophen-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-carboxylate
데이터베이스 식별자
- CAS
311798-67-1
물성
구조 계산 물성
- XLogP
- 7.4
- 극성 표면적
- 153 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,140
화학 및 산업
공급사1 곳
SPECS[email protected]
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