2-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)phenyl benzoate

• ChemBase编号: 186349
• 分子式: C24H23NO3
• 平均质量: 373.44432
• 单一同位素质量: 373.1677936
• SMILES: C1(N(C(C(O1)c1ccccc1)C)C)c1c(OC(=O)c2ccccc2)cccc1
• Canonical SMILES: O=C(c1ccccc1)Oc1ccccc1C1OC(C(N1C)C)c1ccccc1
• InChI: InChI=1S/C24H23NO3/c1-17-22(18-11-5-3-6-12-18)28-23(25(17)2)20-15-9-10-16-21(20)27-24(26)19-13-7-4-8-14-19/h3-17,22-23H,1-2H3
• InChIKey: WESAJBQBYCQVNO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)phenyl benzoate
• IUPAC传统名: 2-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)phenyl benzoate

登记号

• PubChem SID: 164242259
• PubChem CID: 3575287

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.530868
• LogD (pH = 7.4): 5.877453
• Log P: 5.8842707
• 摩尔折射率: 108.9173 cm^3
• 极化性: 42.776947 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds