N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide

• ChemBase编号: 638303
• 分子式: C20H22N2O4
• 平均质量: 354.39968
• 单一同位素质量: 354.15795719
• SMILES: N1(C(=O)OC[C@@H]1c1ccccc1)CC(=O)N(Cc1c(OC)cccc1)C
• Canonical SMILES: COc1ccccc1CN(C(=O)CN1C(=O)OC[C@@H]1c1ccccc1)C
• InChI: InChI=1S/C20H22N2O4/c1-21(12-16-10-6-7-11-18(16)25-2)19(23)13-22-17(14-26-20(22)24)15-8-4-3-5-9-15/h3-11,17H,12-14H2,1-2H3/t17-/m1/s1
• InChIKey: XRUAZNIWOIWLEV-QGZVFWFLSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 18.348543
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.3342648
• LogD (pH = 7.4): 2.3342648
• Log P: 2.3342648
• 摩尔折射率: 96.9727 cm^3
• 极化性: 37.712326 Å^3
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.56
• LOG S: -3.97
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 6