(5's,7's)-1-benzyl-5',7'-diethyl-1,2-dihydro-1',3'-diazaspiro[indole-3,2'-tricyclo[3.3.1.13,7]decane]-2,6'-dione

• ChemBase编号: 189407
• 分子式: C26H29N3O2
• 平均质量: 415.52736
• 单一同位素质量: 415.22597718
• SMILES: C12(C(=O)N(c3c1cccc3)Cc1ccccc1)N1C[C@@]3(C(=O)[C@](C1)(CN2C3)CC)CC
• Canonical SMILES: CC[C@]12CN3C[C@@](C2=O)(CN(C1)C13c2ccccc2N(C1=O)Cc1ccccc1)CC
• InChI: InChI=1S/C26H29N3O2/c1-3-24-15-27-17-25(4-2,22(24)30)18-28(16-24)26(27)20-12-8-9-13-21(20)29(23(26)31)14-19-10-6-5-7-11-19/h5-13H,3-4,14-18H2,1-2H3/t24-,25+,26?
• InChIKey: NOFRVEKTEKLFCN-IQCGEYIDSA-N

名称和登记号

名称

• IUPAC标准名: (5's,7's)-1-benzyl-5',7'-diethyl-1,2-dihydro-1',3'-diazaspiro[indole-3,2'-tricyclo[3.3.1.1^3,^7]decane]-2,6'-dione
• IUPAC传统名: (5's,7's)-1-benzyl-5',7'-diethyl-1',3'-diazaspiro[indole-3,2'-tricyclo[3.3.1.1^3,^7]decane]-2,6'-dione

登记号

• PubChem SID: 164245317
• PubChem CID: 1426510

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.828193
• LogD (pH = 7.4): 4.870575
• Log P: 4.871143
• 摩尔折射率: 120.5028 cm^3
• 极化性: 47.10761 Å^3
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds