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

• ChemBase编号: 188837
• 分子式: C22H29N3O2
• 平均质量: 367.48456
• 单一同位素质量: 367.22597718
• SMILES: C12(C(=O)N(c3c2cccc3)C)N2C[C@@]3(C(=O)[C@](C2)(CN1C3)C(C)C)C(C)C
• Canonical SMILES: O=C1N(C)c2c(C31N1C[C@]4(CN3C[C@@](C1)(C4=O)C(C)C)C(C)C)cccc2
• InChI: InChI=1S/C22H29N3O2/c1-14(2)20-10-24-12-21(15(3)4,18(20)26)13-25(11-20)22(24)16-8-6-7-9-17(16)23(5)19(22)27/h6-9,14-15H,10-13H2,1-5H3/t20-,21+,22?
• InChIKey: RMVXDKVIIXQLSA-CBQGHPETSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164244747
• PubChem CID: 1425212

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.6083217
• LogD (pH = 7.4): 3.7190962
• Log P: 3.720708
• 摩尔折射率: 104.9874 cm^3
• 极化性: 41.191208 Å^3
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 2
• 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