N-ethyl-6-(2-fluoro-4-methoxyphenyl)-N,7-dimethyl-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase编号: 444152
• 分子式: C18H19FN4O3
• 平均质量: 358.3668632
• 单一同位素质量: 358.14411871
• SMILES: c1(nc2n(cc(n(c2=O)C)c2c(cc(cc2)OC)F)c1)C(=O)N(CC)C
• Canonical SMILES: CCN(C(=O)c1cn2c(n1)c(=O)n(c(c2)c1ccc(cc1F)OC)C)C
• InChI: InChI=1S/C18H19FN4O3/c1-5-21(2)17(24)14-9-23-10-15(22(3)18(25)16(23)20-14)12-7-6-11(26-4)8-13(12)19/h6-10H,5H2,1-4H3
• InChIKey: KMEPQVDFGNKJRR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-6-(2-fluoro-4-methoxyphenyl)-N,7-dimethyl-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC传统名: N-ethyl-6-(2-fluoro-4-methoxyphenyl)-N,7-dimethyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
• 别名: N-ethyl-6-(2-fluoro-4-methoxyphenyl)-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): 1.264315
• LogD (pH = 7.4): 1.264315
• Log P: 1.264315
• 摩尔折射率: 95.2782 cm^3
• 极化性: 34.913155 Å^3
• 极化表面积: 67.67 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: 4
• 质子供体: 0
• Log P: 0.77
• LOG S: -2.47
• 极化表面积: 68.84 Å^2
• 可自由旋转的化学键: 4