2-(2,2-diphenylacetyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 735783
• 分子式: C23H26N2O2
• 平均质量: 362.46474
• 单一同位素质量: 362.19942808
• SMILES: C12(C(=O)N(CCC2)C)CN(C(=O)C(c2ccccc2)c2ccccc2)CC1
• Canonical SMILES: O=C(C(c1ccccc1)c1ccccc1)N1CCC2(C1)CCCN(C2=O)C
• InChI: InChI=1S/C23H26N2O2/c1-24-15-8-13-23(22(24)27)14-16-25(17-23)21(26)20(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,20H,8,13-17H2,1H3
• InChIKey: KNUFWIJQEZBNCX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,2-diphenylacetyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 2-(2,2-diphenylacetyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• 别名: 2-(diphenylacetyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.8801026
• LogD (pH = 7.4): 2.8801029
• Log P: 2.8801029
• 摩尔折射率: 106.2636 cm^3
• 极化性: 41.13935 Å^3
• 极化表面积: 40.62 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: 3.95
• LOG S: -3.56
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 3