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

• ChemBase编号: 196246
• 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@@](CN2C3)(C1)CCC)C
• Canonical SMILES: CCC[C@]12CN3C[C@@](C2=O)(CN(C1)C13C(=O)N(c2c1cccc2)Cc1ccccc1)C
• InChI: InChI=1S/C26H29N3O2/c1-3-13-25-17-27-15-24(2,22(25)30)16-28(18-25)26(27)20-11-7-8-12-21(20)29(23(26)31)14-19-9-5-4-6-10-19/h4-12H,3,13-18H2,1-2H3/t24-,25+,26?
• InChIKey: OTBHRCNWPMGTFW-IQCGEYIDSA-N

名称和登记号

名称

• IUPAC标准名: (5's,7's)-1-benzyl-7'-methyl-5'-propyl-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'R)-1-benzyl-7'-methyl-5'-propyl-1',3'-diazaspiro[indole-3,2'-tricyclo[3.3.1.1^3,^7]decane]-2,6'-dione

登记号

• PubChem SID: 164252156
• PubChem CID: 1249384

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.8407116
• LogD (pH = 7.4): 4.870746
• 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

• 简要说明: 2 Stereoisomers
• 分类: Derivatives & analogs of Natural Compounds