6-(2,5-dimethylfuran-3-yl)-N-(2-methoxyethyl)-N,7-dimethyl-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase编号: 363364
• 分子式: C18H22N4O4
• 平均质量: 358.39168
• 单一同位素质量: 358.1641052
• SMILES: c1(nc2n(cc(c3c(oc(c3)C)C)n(c2=O)C)c1)C(=O)N(CCOC)C
• Canonical SMILES: COCCN(C(=O)c1cn2c(n1)c(=O)n(c(c2)c1cc(oc1C)C)C)C
• InChI: InChI=1S/C18H22N4O4/c1-11-8-13(12(2)26-11)15-10-22-9-14(17(23)20(3)6-7-25-5)19-16(22)18(24)21(15)4/h8-10H,6-7H2,1-5H3
• InChIKey: TWMZZTAQLZWTOX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(2,5-dimethylfuran-3-yl)-N-(2-methoxyethyl)-N,7-dimethyl-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC传统名: 6-(2,5-dimethylfuran-3-yl)-N-(2-methoxyethyl)-N,7-dimethyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
• 别名: 6-(2,5-dimethyl-3-furyl)-N-(2-methoxyethyl)-N,7-dimethyl-8-oxo-7,8-dihydroimidazo[1,2-a]pyrazine-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.41486898
• LogD (pH = 7.4): 0.414869
• Log P: 0.414869
• 摩尔折射率: 97.7063 cm^3
• 极化性: 35.65688 Å^3
• 极化表面积: 80.81 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 0.28
• LOG S: -3.36
• 极化表面积: 81.98 Å^2
• 可自由旋转的化学键: 5