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

• ChemBase编号: 703298
• 分子式: C19H20N4O3
• 平均质量: 352.3871
• 单一同位素质量: 352.15354052
• SMILES: c1(nc2n(cc(n(c2=O)CC=C)c2ccc(cc2)OC)c1)C(=O)N(C)C
• Canonical SMILES: C=CCn1c(cn2c(c1=O)nc(c2)C(=O)N(C)C)c1ccc(cc1)OC
• InChI: InChI=1S/C19H20N4O3/c1-5-10-23-16(13-6-8-14(26-4)9-7-13)12-22-11-15(18(24)21(2)3)20-17(22)19(23)25/h5-9,11-12H,1,10H2,2-4H3
• InChIKey: BQBMHUXVGRKJAW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(4-methoxyphenyl)-N,N-dimethyl-8-oxo-7-(prop-2-en-1-yl)-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC传统名: 6-(4-methoxyphenyl)-N,N-dimethyl-8-oxo-7-(prop-2-en-1-yl)imidazo[1,2-a]pyrazine-2-carboxamide
• 别名: 7-allyl-6-(4-methoxyphenyl)-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: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.4960549
• LogD (pH = 7.4): 1.4960549
• Log P: 1.4960549
• 摩尔折射率: 99.4759 cm^3
• 极化性: 36.775352 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: 1.02
• LOG S: -2.64
• 极化表面积: 68.84 Å^2
• 可自由旋转的化学键: 5