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

• ChemBase编号: 189406
• 分子式: C24H33N3O2
• 平均质量: 395.53772
• 单一同位素质量: 395.25727731
• SMILES: C12(C(=O)N(c3c2cccc3)CCC)N2C[C@@]3(C(=O)[C@](C2)(CN1C3)C(C)C)C(C)C
• Canonical SMILES: CCCN1c2ccccc2C2(C1=O)N1C[C@]3(CN2C[C@@](C1)(C3=O)C(C)C)C(C)C
• InChI: InChI=1S/C24H33N3O2/c1-6-11-27-19-10-8-7-9-18(19)24(21(27)29)25-12-22(16(2)3)13-26(24)15-23(14-25,17(4)5)20(22)28/h7-10,16-17H,6,11-15H2,1-5H3/t22-,23+,24?
• InChIKey: JEWMAEBBCJEHAQ-VSGJHWFKSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164245316
• PubChem CID: 1795359

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.4954987
• LogD (pH = 7.4): 4.5985527
• Log P: 4.600038
• 摩尔折射率: 114.26 cm^3
• 极化性: 44.876328 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