7-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)acetyl]-N,N,2-trimethyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase编号: 345734
• 分子式: C17H23N5O5
• 平均质量: 377.39502
• 单一同位素质量: 377.16991886
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)N1Cc2n(c(c(n2)C)C(=O)N(C)C)CC1
• Canonical SMILES: O=C(N1CCn2c(C1)nc(c2C(=O)N(C)C)C)CN1C(=O)OC(C1=O)(C)C
• InChI: InChI=1S/C17H23N5O5/c1-10-13(14(24)19(4)5)21-7-6-20(8-11(21)18-10)12(23)9-22-15(25)17(2,3)27-16(22)26/h6-9H2,1-5H3
• InChIKey: OOZJURLBGJIRTE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)acetyl]-N,N,2-trimethyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC传统名: 7-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)acetyl]-N,N,2-trimethyl-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• 别名: 7-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)acetyl]-N,N,2-trimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

理论计算性质

JChem

• Acid pKa: 15.999992
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -1.3156389
• LogD (pH = 7.4): -1.2970194
• Log P: -1.2967764
• 摩尔折射率: 94.0633 cm^3
• 极化性: 35.7675 Å^3
• 极化表面积: 105.05 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 6
• 质子供体: 0
• Log P: -1.01
• LOG S: -2.4
• 极化表面积: 105.05 Å^2
• 可自由旋转的化学键: 3