(5's,7'r)-5',7'-dimethyl-1-(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: 182600
• 分子式: C20H25N3O2
• 平均质量: 339.4314
• 单一同位素质量: 339.19467706
• SMILES: [C@]12(C(=O)N(c3c1cccc3)C(C)C)N1C[C@@]3(C(=O)[C@@](CN2C3)(C1)C)C
• Canonical SMILES: CC(N1c2ccccc2[C@@]2(C1=O)N1C[C@]3(CN2C[C@@](C1)(C3=O)C)C)C
• InChI: InChI=1S/C20H25N3O2/c1-13(2)23-15-8-6-5-7-14(15)20(17(23)25)21-9-18(3)10-22(20)12-19(4,11-21)16(18)24/h5-8,13H,9-12H2,1-4H3/t18-,19+,20-
• InChIKey: DBPJPZRATWJYKZ-ACDBMABISA-N

名称和登记号

名称

• IUPAC标准名: (5's,7'r)-5',7'-dimethyl-1-(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'R,7'S)-1-isopropyl-5',7'-dimethyl-1',3'-diazaspiro[indole-3,2'-tricyclo[3.3.1.1^3,^7]decane]-2,6'-dione

登记号

• PubChem SID: 164238510
• PubChem CID: 697193

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.0064805
• LogD (pH = 7.4): 3.030599
• Log P: 3.0309153
• 摩尔折射率: 95.8556 cm^3
• 极化性: 37.507187 Å^3
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 1
• 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