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

• ChemBase编号: 183520
• 分子式: C18H21N3O2
• 平均质量: 311.37824
• 单一同位素质量: 311.16337693
• SMILES: [C@]12(C(=O)N(c3c1cccc3)C)N1CC3(C(=O)[C@](CN2C3)(C1)C)C
• Canonical SMILES: O=C1N(C)c2c([C@@]31N1CC4(CN3C[C@@](C1)(C4=O)C)C)cccc2
• InChI: InChI=1S/C18H21N3O2/c1-16-8-20-10-17(2,14(16)22)11-21(9-16)18(20)12-6-4-5-7-13(12)19(3)15(18)23/h4-7H,8-11H2,1-3H3/t16-,17?,18-
• InChIKey: SPVLWLRVLYBEGM-KFZAHXERSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164239430
• PubChem CID: 720481

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.234421
• LogD (pH = 7.4): 2.2572336
• Log P: 2.2575324
• 摩尔折射率: 86.6882 cm^3
• 极化性: 33.825745 Å^3
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 0
• 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