N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide

• ChemBase编号: 761395
• 分子式: C20H22N2O3S
• 平均质量: 370.46528
• 单一同位素质量: 370.13511357
• SMILES: N1(C(=O)OC[C@@H]1c1ccccc1)CC(=O)N(C1CC1)Cc1sc(cc1)C
• Canonical SMILES: Cc1ccc(s1)CN(C(=O)CN1C(=O)OC[C@@H]1c1ccccc1)C1CC1
• InChI: InChI=1S/C20H22N2O3S/c1-14-7-10-17(26-14)11-21(16-8-9-16)19(23)12-22-18(13-25-20(22)24)15-5-3-2-4-6-15/h2-7,10,16,18H,8-9,11-13H2,1H3/t18-/m1/s1
• InChIKey: WFGYAYPKQMRAQU-GOSISDBHSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 18.273726
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.5162427
• LogD (pH = 7.4): 3.5162427
• Log P: 3.5162427
• 摩尔折射率: 99.6669 cm^3
• 极化性: 38.57714 Å^3
• 极化表面积: 49.85 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: 3
• 质子供体: 0
• Log P: 3.15
• LOG S: -4.59
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 6