基本情報
- CAS
312285-48-6- 標準SMILES
CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCC3)C(N)=C(C#N)C2c1ccc(F)cc1- InChIKey
XRIVHSHBGSNELZ-UHFFFAOYSA-N- 分子式
- C28H27FN4OS
- 平均分子量
- 486.6 g/mol
名称と識別子
- 優先名称
- 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
- IUPAC
- 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
- 英語名
- 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- 分子式
- C28H27FN4OS
- 分子量
- 486.6035832
名称と別名
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileOprea1_872586STK757988AKOS001766625AKOS022012901AG-205/37049162SR-01000519784SR-01000519784-12-[2-amino-3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-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)-4-(4-FLUOROPHENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
名称をさらに表示
2-AMINO-1-{3-CYANO-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL}-4-(4-FLUOROPHENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBONITRILE312285-48-6
物性
構造計算による物性
- XLogP
- 6.1
- 極性表面積
- 122 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 2
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 1,050
化学と産業
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