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

• ChemBase编号: 643245
• 分子式: C19H19ClN4O2
• 平均质量: 370.83276
• 单一同位素质量: 370.11965355
• SMILES: n1(c(cn2c(nc(c2)C(=O)N(C)C)c1=O)c1c(Cl)cccc1)CC1CC1
• Canonical SMILES: CN(C(=O)c1cn2c(n1)c(=O)n(c(c2)c1ccccc1Cl)CC1CC1)C
• InChI: InChI=1S/C19H19ClN4O2/c1-22(2)18(25)15-10-23-11-16(13-5-3-4-6-14(13)20)24(9-12-7-8-12)19(26)17(23)21-15/h3-6,10-12H,7-9H2,1-2H3
• InChIKey: DYBRZJFAUPPCJW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(2-chlorophenyl)-7-(cyclopropylmethyl)-N,N-dimethyl-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC传统名: 6-(2-chlorophenyl)-7-(cyclopropylmethyl)-N,N-dimethyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
• 别名: 6-(2-chlorophenyl)-7-(cyclopropylmethyl)-N,N-dimethyl-8-oxo-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): 2.3070984
• LogD (pH = 7.4): 2.3070984
• Log P: 2.3070984
• 摩尔折射率: 100.5968 cm^3
• 极化性: 37.50919 Å^3
• 极化表面积: 58.44 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: 3
• 质子供体: 0
• Log P: 1.46
• LOG S: -3.15
• 极化表面积: 59.61 Å^2
• 可自由旋转的化学键: 4