基本情報
- CAS
747-04-6- 標準SMILES
CC1(C)NC(=O)N(CN2CCN(CN3C(=O)NC(C)(C)C3=O)CC2)C1=O- InChIKey
QVSDOAFDCXLLFP-UHFFFAOYSA-N- 分子式
- C16H26N6O4
- 平均分子量
- 366.42 g/mol
- 単同位体質量
- 366.20155333
名称と識別子
- 優先名称
- Hydantoin, 3,3'-(1,4-piperazinediyldimethylene)bis(5,5-dimethyl-
- IUPAC
- 3-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
- 英語名
- 3,3-(piperazine-1,4-diylbis(methylene))bis(5,5-dimethylimidazolidine-2,4-dione)
- 分子式
- C16H26N6O4
- 分子量
- 366.42
名称と別名
747-04-6Hydantoin, 3,3'-(1,4-piperazinediyldimethylene)bis(5,5-dimethyl-NSC 150488BRN 07225583,3'-(1,4-Piperazinediyldimethylene)bis(5,5-dimethylhydantoin)DTXSID702256825-24-05-00349 (Beilstein Handbook Reference)RefChem:347879DTXCID001481733,3'-(piperazine-1,4-diylbis(methylene))bis(5,5-dimethylimidazolidine-2,4-dione)F1279-00503-({4-[(4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)methyl]-1-piperazinyl}methyl)-5,5-dimethyl-2,4-imidazolidinedione
名称をさらに表示
3,3-(piperazine-1,4-diylbis(methylene))bis(5,5-dimethylimidazolidine-2,4-dione)2,4-Imidazolidinedione, 3,3'-[1,4-piperazinediylbis(methylene)]bis[5,5-dimethyl- (9CI)
3,3'-[Piperazine-1,4-diylbis(methylene)]bis(5,5-dimethylimidazolidine-2,4-dione)NSC1504883-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione3,3'-(piperazine-1,4-diyldimethanediyl)bis(5,5-dimethylimidazolidine-2,4-dione)Oprea1_158766SMSSF-0613267STK844316AKOS001659694
物性
構造計算による物性
- XLogP
- -0.7
- 極性表面積
- 105 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 6
- 回転可能結合数
- 4
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 597
物理化学的性質
- 融点
- 248 · 248-249 °C
- 比重(密度)
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 8.22 · 8.22±0.70(Predicted)
化学と産業
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PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
SPECS[email protected]
IFLAB-BB[email protected]
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