8-(4-fluorobenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

• ChemBase编号: 759985
• 分子式: C22H23FN2O2
• 平均质量: 366.4286232
• 单一同位素质量: 366.17435621
• SMILES: C1(=O)N(C2(CC1c1ccccc1)CCN(C(=O)c1ccc(cc1)F)CC2)C
• Canonical SMILES: Fc1ccc(cc1)C(=O)N1CCC2(CC1)CC(C(=O)N2C)c1ccccc1
• InChI: InChI=1S/C22H23FN2O2/c1-24-21(27)19(16-5-3-2-4-6-16)15-22(24)11-13-25(14-12-22)20(26)17-7-9-18(23)10-8-17/h2-10,19H,11-15H2,1H3
• InChIKey: KZMPTVWLJZPBNW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-(4-fluorobenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• IUPAC传统名: 8-(4-fluorobenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• 别名: 8-(4-fluorobenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.4952023
• LogD (pH = 7.4): 2.4952025
• Log P: 2.4952025
• 摩尔折射率: 102.3229 cm^3
• 极化性: 38.736305 Å^3
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 2.21
• LOG S: -3.76
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 2