(5's,7's)-1-ethyl-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: 189459
• 分子式: C23H31N3O2
• 平均质量: 381.51114
• 单一同位素质量: 381.24162725
• SMILES: C12(C(=O)N(c3c2cccc3)CC)N2C[C@@]3(C(=O)[C@](C2)(CN1C3)C(C)C)C(C)C
• Canonical SMILES: CCN1c2ccccc2C2(C1=O)N1C[C@]3(CN2C[C@@](C1)(C3=O)C(C)C)C(C)C
• InChI: InChI=1S/C23H31N3O2/c1-6-26-18-10-8-7-9-17(18)23(20(26)28)24-11-21(15(2)3)12-25(23)14-22(13-24,16(4)5)19(21)27/h7-10,15-16H,6,11-14H2,1-5H3/t21-,22+,23?
• InChIKey: SHCAAVZOQKWMHY-AIZNXBIQSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164245369
• PubChem CID: 1427132

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.957493
• LogD (pH = 7.4): 4.075779
• Log P: 4.0775156
• 摩尔折射率: 109.736 cm^3
• 极化性: 43.033527 Å^3
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 3
• 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