7-cyclohexyl-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 687302
• 分子式: C19H28N4O3
• 平均质量: 360.45062
• 单一同位素质量: 360.21614078
• SMILES: C12(C(=O)N(C3CCCCC3)CCC2)CN(C(=O)Cc2nonc2C)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C1CCCCC1)Cc1nonc1C
• InChI: InChI=1S/C19H28N4O3/c1-14-16(21-26-20-14)12-17(24)22-11-9-19(13-22)8-5-10-23(18(19)25)15-6-3-2-4-7-15/h15H,2-13H2,1H3
• InChIKey: BOPAIWTYBVXUGL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-cyclohexyl-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-cyclohexyl-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-cyclohexyl-2-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.108647
• LogD (pH = 7.4): 1.1086489
• Log P: 1.108649
• 摩尔折射率: 97.1984 cm^3
• 极化性: 36.959908 Å^3
• 极化表面积: 79.54 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: 5
• 质子供体: 0
• Log P: 1.55
• LOG S: -3.15
• 极化表面积: 79.54 Å^2
• 可自由旋转的化学键: 3