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

• ChemBase编号: 634081
• 分子式: C18H19ClN4O3
• 平均质量: 374.82146
• 单一同位素质量: 374.11456817
• SMILES: c1(nc2n(cc(n(c2=O)C)c2cc(Cl)ccc2)c1)C(=O)N(CCOC)C
• Canonical SMILES: COCCN(C(=O)c1cn2c(n1)c(=O)n(c(c2)c1cccc(c1)Cl)C)C
• InChI: InChI=1S/C18H19ClN4O3/c1-21(7-8-26-3)17(24)14-10-23-11-15(12-5-4-6-13(19)9-12)22(2)18(25)16(23)20-14/h4-6,9-11H,7-8H2,1-3H3
• InChIKey: OZWDZEZDFKKDLQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(3-chlorophenyl)-N-(2-methoxyethyl)-N,7-dimethyl-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC传统名: 6-(3-chlorophenyl)-N-(2-methoxyethyl)-N,7-dimethyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
• 别名: 6-(3-chlorophenyl)-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): 1.4795455
• LogD (pH = 7.4): 1.4795455
• Log P: 1.4795455
• 摩尔折射率: 99.6983 cm^3
• 极化性: 37.11063 Å^3
• 极化表面积: 67.67 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: 4
• 质子供体: 0
• Log P: 0.8
• LOG S: -2.62
• 极化表面积: 68.84 Å^2
• 可自由旋转的化学键: 5