2,4-Thiazolidinedione, 3,3'-[(1,4-phenylene)bis(methylene)]bis[5-[(2,4-dimethylphenyl)amino]-
基本情報
- CAS
1025087-76-6- 標準SMILES
Cc1ccc(NC2SC(=O)N(Cc3ccc(CN4C(=O)SC(Nc5ccc(C)cc5C)C4=O)cc3)C2=O)c(C)c1- InChIKey
IJMAUTHQMDIEPK-UHFFFAOYSA-N- 分子式
- C30H30N4O4S2
- 平均分子量
- 574.7 g/mol
- 単同位体質量
- 574.1708478
名称と識別子
- 優先名称
- 2,4-Thiazolidinedione, 3,3'-[(1,4-phenylene)bis(methylene)]bis[5-[(2,4-dimethylphenyl)amino]-
- IUPAC
- 5-(2,4-dimethylanilino)-3-[[4-[[5-(2,4-dimethylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
名称と別名
1025087-76-62,4-Thiazolidinedione, 3,3'-[(1,4-phenylene)bis(methylene)]bis[5-[(2,4-dimethylphenyl)amino]-3,3'-(1,4-phenylenebis(methylene))bis(5-((2,4-dimethylphenyl)amino)thiazolidine-2,4-dione)Oprea1_828362DTXSID401119163MFCD03131977STK545564AKOS001159815AKOS016300408ZINC000100908070ZINC000100908073ST50100816
名称をさらに表示
Z5717995333(14phenylenebis(methylene))bis(5((24dimethylphenyl)amino)thiazolidine24dione)33(benzene14diyldimethanediyl)bis(5((24dimethylphenyl)amino)13thiazolidine24dione)2,4-Thiazolidinedione, 3,3a(2)-[(1,4-phenylene)bis(methylene)]bis[5-[(2,4-dimethylphenyl)amino]-3,3'-[1,4-Phenylenebis(methylene)]bis[5-(2,4-dimethylanilino)-1,3-thiazolidine-2,4-dione]5((24DIMETHYLPHENYL)AMINO)3((4((5((24DIMETHYLPHENYL)AMINO)24DIOXO(13THIAZOLIDIN3YL))METHYL)PHENYL)METHYL)13THIAZOLIDINE24DIONE5(24DIMETHYLANILINO)3((4((5(24DIMETHYLANILINO)24DIOXO13THIAZOLIDIN3YL)METHYL)PHENYL)METHYL)13THIAZOLIDINE24DIONE5-[(2,4-dimethylphenyl)amino]-3-{[4-({5-[(2,4-dimethylphenyl)amino]-2,4-dioxo( 1,3-thiazolidin-3-yl)}methyl)phenyl]methyl}-1,3-thiazolidine-2,4-dione
データベース識別子
- CAS
1025087-76-6- PubChem CID
- 4977456
- DTXSID
DTXSID401119163
物性
構造計算による物性
- XLogP
- 6.7
- 極性表面積
- 149 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 8
- 重原子数
- 40
- 形式電荷
- 0
- 複雑度
- 897
関連反応
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