2-({[(3-Cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]methyl}sulfanyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
基本情報
- CAS
499208-99-0- 標準SMILES
CC1(C)CC(=O)c2cc(C#N)c(SCSc3nc4c(cc3C#N)C(=O)CC(C)(C)C4)nc2C1- InChIKey
FQXCMAJLNJRJOU-UHFFFAOYSA-N- 分子式
- C25H24N4O2S2
- 平均分子量
- 476.6 g/mol
名称と識別子
- 優先名称
- 2-({[(3-Cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]methyl}sulfanyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
- IUPAC
- 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanylmethylsulfanyl]-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile
- 英語名
- 2,2-(methylenebis(sulfanediyl))bis(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile)
- 分子式
- C25H24N4O2S2
- 分子量
- 476.61
名称と別名
499208-99-02,2'-(methylenebis(sulfanediyl))bis(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile)2-({[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]methyl}sulfanyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanylmethylsulfanyl]-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrileChemDiv3_003416Oprea1_040714HMS1482L06STK841102AKOS002052347IDI1_021326EU-0045408AE-848/41151100
名称をさらに表示
2,2-(methylenebis(sulfanediyl))bis(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile)3-Quinolinecarbonitrile, 2,2'-[methylenebis(thio)]bis[5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo- (9CI)
BRD-K98857743-001-01-1F1109-01752,2'-(methanediyldisulfanediyl)bis(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile)
物性
構造計算による物性
- XLogP
- 4.6
- 極性表面積
- 158 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 8
- 回転可能結合数
- 4
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 829
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