(5's,7's)-1-benzyl-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: 189076
• 分子式: C28H33N3O2
• 平均质量: 443.58052
• 单一同位素质量: 443.25727731
• SMILES: C12(C(=O)N(c3c2cccc3)Cc2ccccc2)N2C[C@]3(C(=O)[C@](CN1C3)(C2)C(C)C)C(C)C
• Canonical SMILES: CC([C@]12CN3C[C@@](C2=O)(CN(C1)C13c2ccccc2N(C1=O)Cc1ccccc1)C(C)C)C
• InChI: InChI=1S/C28H33N3O2/c1-19(2)26-15-29-17-27(20(3)4,24(26)32)18-30(16-26)28(29)22-12-8-9-13-23(22)31(25(28)33)14-21-10-6-5-7-11-21/h5-13,19-20H,14-18H2,1-4H3/t26-,27+,28?
• InChIKey: WLKQZLUWSALPLZ-FITHBNAOSA-N

名称和登记号

名称

• IUPAC标准名: (5's,7's)-1-benzyl-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-benzyl-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: 164244986
• PubChem CID: 1427024

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.3443227
• LogD (pH = 7.4): 5.443754
• Log P: 5.445181
• 摩尔折射率: 129.6 cm^3
• 极化性: 50.79581 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: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds