6-(2-chlorophenyl)-N-ethyl-7-methyl-8-oxo-N-propyl-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase编号: 552548
• 分子式: C19H21ClN4O2
• 平均质量: 372.84864
• 单一同位素质量: 372.13530361
• SMILES: c1(nc2n(cc(n(c2=O)C)c2c(Cl)cccc2)c1)C(=O)N(CC)CCC
• Canonical SMILES: CCCN(C(=O)c1cn2c(n1)c(=O)n(c(c2)c1ccccc1Cl)C)CC
• InChI: InChI=1S/C19H21ClN4O2/c1-4-10-23(5-2)18(25)15-11-24-12-16(13-8-6-7-9-14(13)20)22(3)19(26)17(24)21-15/h6-9,11-12H,4-5,10H2,1-3H3
• InChIKey: XXFKWTSYAPICRA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(2-chlorophenyl)-N-ethyl-7-methyl-8-oxo-N-propyl-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC传统名: 6-(2-chlorophenyl)-N-ethyl-7-methyl-8-oxo-N-propylimidazo[1,2-a]pyrazine-2-carboxamide
• 别名: 6-(2-chlorophenyl)-N-ethyl-7-methyl-8-oxo-N-propyl-7,8-dihydroimidazo[1,2-a]pyrazine-2-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.7626593
• LogD (pH = 7.4): 2.7626593
• Log P: 2.7626593
• 摩尔折射率: 102.676 cm^3
• 极化性: 38.227776 Å^3
• 极化表面积: 58.44 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: 3
• 质子供体: 0
• Log P: 2.16
• LOG S: -3.76
• 极化表面积: 59.61 Å^2
• 可自由旋转的化学键: 5