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

• ChemBase编号: 194297
• 分子式: C22H29N3O2
• 平均质量: 367.48456
• 单一同位素质量: 367.22597718
• SMILES: C12(C(=O)N(c3c1cccc3)CCC)N1C[C@]3(C(=O)[C@](CN2C3)(C1)CC)CC
• Canonical SMILES: CCCN1c2ccccc2C2(C1=O)N1C[C@]3(CN2C[C@@](C1)(C3=O)CC)CC
• InChI: InChI=1S/C22H29N3O2/c1-4-11-25-17-10-8-7-9-16(17)22(19(25)27)23-12-20(5-2)13-24(22)15-21(6-3,14-23)18(20)26/h7-10H,4-6,11-15H2,1-3H3/t20-,21+,22?
• InChIKey: PPEUGPINARIDLN-CBQGHPETSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164250207
• PubChem CID: 1426261

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.980845
• LogD (pH = 7.4): 4.0254016
• Log P: 4.026
• 摩尔折射率: 105.1628 cm^3
• 极化性: 41.191048 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