7-(cyclopropylmethyl)-2-(4-fluorobenzoyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 560755
• 分子式: C19H23FN2O2
• 平均质量: 330.3965232
• 单一同位素质量: 330.17435621
• SMILES: C12(C(=O)N(CC3CC3)CCC2)CN(C(=O)c2ccc(cc2)F)CC1
• Canonical SMILES: Fc1ccc(cc1)C(=O)N1CCC2(C1)CCCN(C2=O)CC1CC1
• InChI: InChI=1S/C19H23FN2O2/c20-16-6-4-15(5-7-16)17(23)22-11-9-19(13-22)8-1-10-21(18(19)24)12-14-2-3-14/h4-7,14H,1-3,8-13H2
• InChIKey: FUHLMWORKUJHIY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-(cyclopropylmethyl)-2-(4-fluorobenzoyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-(cyclopropylmethyl)-2-(4-fluorobenzoyl)-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-(cyclopropylmethyl)-2-(4-fluorobenzoyl)-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): 2.146425
• LogD (pH = 7.4): 2.1464264
• Log P: 2.1464264
• 摩尔折射率: 89.7011 cm^3
• 极化性: 33.969093 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: 1.62
• LOG S: -2.99
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 3