2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-(quinoxalin-2-ylmethyl)acetamide

• ChemBase编号: 693226
• 分子式: C17H19N5O3
• 平均质量: 341.36446
• 单一同位素质量: 341.14878949
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)N(Cc1nc2c(nc1)cccc2)C)C)C
• Canonical SMILES: O=C(N(Cc1cnc2c(n1)cccc2)C)CC1N(C)C(=O)N(C1=O)C
• InChI: InChI=1S/C17H19N5O3/c1-20(10-11-9-18-12-6-4-5-7-13(12)19-11)15(23)8-14-16(24)22(3)17(25)21(14)2/h4-7,9,14H,8,10H2,1-3H3
• InChIKey: CCMISDINDUUZMN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-(quinoxalin-2-ylmethyl)acetamide
• IUPAC传统名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-(quinoxalin-2-ylmethyl)acetamide
• 别名: 2-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)-N-methyl-N-(2-quinoxalinylmethyl)acetamide

理论计算性质

JChem

• Acid pKa: 14.18032
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -0.30375755
• LogD (pH = 7.4): -0.30372936
• Log P: -0.30372894
• 摩尔折射率: 88.4672 cm^3
• 极化性: 35.53994 Å^3
• 极化表面积: 86.71 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: -1.43
• LOG S: -1.78
• 极化表面积: 86.71 Å^2
• 可自由旋转的化学键: 4