기본 정보
- CAS
312290-84-9- 표준 SMILES
COc1cc(C2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC- InChIKey
UPSAYCWEGKGGAU-UHFFFAOYSA-N- 분자식
- C31H34N4O4S
- 평균 분자량
- 558.7 g/mol
이름 및 식별자
- 우선 이름
- 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
- IUPAC
- 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
- 영어명
- 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- 분자식
- C31H34N4O4S
- 분자량
- 558.69106
이름 및 동의어
Oprea1_185450STK758244AKOS001734597AKOS0220124932-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrileAG-205/37049129SR-01000520312SR-01000520312-12-[2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-1(4H)-quinolinyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl cyanide2-AMINO-1-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIEN-2-YL)-7,7-DIMETHYL-5-OXO-4-(3,4,5-TRIMETHOXYPHENYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
이름 더 보기
2-AMINO-1-{3-CYANO-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL}-7,7-DIMETHYL-5-OXO-4-(3,4,5-TRIMETHOXYPHENYL)-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBONITRILE
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 150 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,160
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