7-cyclohexyl-2-[4-(dimethylamino)benzoyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 320811
• 分子式: C23H33N3O2
• 平均质量: 383.52702
• 单一同位素质量: 383.25727731
• SMILES: C12(C(=O)N(C3CCCCC3)CCC2)CN(C(=O)c2ccc(N(C)C)cc2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C(=O)c1ccc(cc1)N(C)C)C1CCCCC1
• InChI: InChI=1S/C23H33N3O2/c1-24(2)19-11-9-18(10-12-19)21(27)25-16-14-23(17-25)13-6-15-26(22(23)28)20-7-4-3-5-8-20/h9-12,20H,3-8,13-17H2,1-2H3
• InChIKey: GGLUGSYGKVGUPS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-cyclohexyl-2-[4-(dimethylamino)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-cyclohexyl-2-[4-(dimethylamino)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-cyclohexyl-2-[4-(dimethylamino)benzoyl]-2,7-diazaspiro[4.5]decan-6-one

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.1264775
• LogD (pH = 7.4): 3.1304114
• Log P: 3.1304617
• 摩尔折射率: 112.9855 cm^3
• 极化性: 42.784813 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

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 2.98
• LOG S: -4.54
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 3