N-methyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase编号: 483066
• 分子式: C10H14N4O3S
• 平均质量: 270.30816
• 单一同位素质量: 270.07866133
• SMILES: c1(c(nns1)C)CN(C(=O)CN1C(=O)OCC1)C
• Canonical SMILES: O=C(N(Cc1snnc1C)C)CN1CCOC1=O
• InChI: InChI=1S/C10H14N4O3S/c1-7-8(18-12-11-7)5-13(2)9(15)6-14-3-4-17-10(14)16/h3-6H2,1-2H3
• InChIKey: VKUFNGVMBIYXAE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC传统名: N-methyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• 别名: N-methyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

理论计算性质

JChem

• Acid pKa: 18.365875
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.43975773
• LogD (pH = 7.4): -0.43975687
• Log P: -0.43975684
• 摩尔折射率: 64.9003 cm^3
• 极化性: 24.499449 Å^3
• 极化表面积: 75.63 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: 5
• 质子供体: 0
• Log P: -0.14
• LOG S: -2.36
• 极化表面积: 75.63 Å^2
• 可自由旋转的化学键: 4