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

• ChemBase编号: 195673
• 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)CCC)C
• Canonical SMILES: CCCN1c2ccccc2C2(C1=O)N1C[C@]3(CN2C[C@@](C1)(C3=O)CCC)C
• InChI: InChI=1S/C22H29N3O2/c1-4-10-21-14-23-12-20(3,18(21)26)13-24(15-21)22(23)16-8-6-7-9-17(16)25(11-5-2)19(22)27/h6-9H,4-5,10-15H2,1-3H3/t20-,21+,22?
• InChIKey: TZLFSFSKPLJNAM-CBQGHPETSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164251583
• PubChem CID: 1799132

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.9941192
• LogD (pH = 7.4): 4.0255837
• 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

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