1-methyl-3-(2-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-2-oxoethyl)imidazolidine-2,4-dione

• ChemBase编号: 828786
• 分子式: C15H22N4O4
• 平均质量: 322.35958
• 单一同位素质量: 322.1641052
• SMILES: N1(C(=O)N(CC1=O)C)CC(=O)N1CC2(C(=O)N(CCC2)C)CC1
• Canonical SMILES: CN1CC(=O)N(C1=O)CC(=O)N1CCC2(C1)CCCN(C2=O)C
• InChI: InChI=1S/C15H22N4O4/c1-16-6-3-4-15(13(16)22)5-7-18(10-15)11(20)9-19-12(21)8-17(2)14(19)23/h3-10H2,1-2H3
• InChIKey: DWVSASWKJYXYRR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-3-(2-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-2-oxoethyl)imidazolidine-2,4-dione
• IUPAC传统名: 1-methyl-3-(2-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-2-oxoethyl)imidazolidine-2,4-dione
• 别名: 1-methyl-3-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)-2-oxoethyl]-2,4-imidazolidinedione

理论计算性质

JChem

• Acid pKa: 14.8380165
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -1.9325666
• LogD (pH = 7.4): -1.9325665
• Log P: -1.9325665
• 摩尔折射率: 81.1526 cm^3
• 极化性: 31.149153 Å^3
• 极化表面积: 81.24 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: 4
• 质子供体: 0
• Log P: -1.8
• LOG S: -1.32
• 极化表面积: 81.24 Å^2
• 可自由旋转的化学键: 2