(4R)-3-benzoyl-4-ethyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one

• ChemBase编号: 801375
• 分子式: C19H19NO3
• 平均质量: 309.35906
• 单一同位素质量: 309.13649347
• SMILES: O1C(N([C@](C1=O)(C)CC)C(=O)c1ccccc1)c1ccccc1
• Canonical SMILES: CC[C@]1(C)C(=O)OC(N1C(=O)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H19NO3/c1-3-19(2)18(22)23-17(15-12-8-5-9-13-15)20(19)16(21)14-10-6-4-7-11-14/h4-13,17H,3H2,1-2H3/t17?,19-/m1/s1
• InChIKey: DYWWDZQRZYAPHQ-WHCXFUJUSA-N

名称和登记号

名称

• IUPAC标准名: (4R)-3-benzoyl-4-ethyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one
• IUPAC传统名: (4R)-3-benzoyl-4-ethyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one
• 别名: (4R)-3-BENZOYL-4-ETHYL-4-METHYL-2-PHENYL-1,3-OXAZOLIDIN-5-ONE

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.297994
• LogD (pH = 7.4): 4.297994
• Log P: 4.297994
• 摩尔折射率: 86.8959 cm^3
• 极化性: 33.830326 Å^3
• 极化表面积: 46.61 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%