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

• ChemBase编号: 836314
• 分子式: C22H24N2O4
• 平均质量: 380.43696
• 单一同位素质量: 380.17360726
• SMILES: N1(C(=O)OC[C@@H]1c1ccccc1)CC(=O)N(C1CC1)Cc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)CN(C(=O)CN1C(=O)OC[C@@H]1c1ccccc1)C1CC1
• InChI: InChI=1S/C22H24N2O4/c1-27-19-9-5-6-16(12-19)13-23(18-10-11-18)21(25)14-24-20(15-28-22(24)26)17-7-3-2-4-8-17/h2-9,12,18,20H,10-11,13-15H2,1H3/t20-/m1/s1
• InChIKey: WPBUUKIRGJNZOQ-HXUWFJFHSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 18.281921
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.7998295
• LogD (pH = 7.4): 2.7998295
• Log P: 2.7998295
• 摩尔折射率: 104.1839 cm^3
• 极化性: 40.665417 Å^3
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.93
• LOG S: -4.48
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 7