N-(3-fluoro-4-methylphenyl)-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide

• ChemBase编号: 195570
• 分子式: C24H18FNO4
• 平均质量: 403.4024232
• 单一同位素质量: 403.12198628
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)Nc1cc(c(cc1)C)F)cc2)c1ccccc1
• Canonical SMILES: O=C(Nc1ccc(c(c1)F)C)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C24H18FNO4/c1-15-7-8-17(11-21(15)25)26-23(27)14-29-18-9-10-19-20(16-5-3-2-4-6-16)13-24(28)30-22(19)12-18/h2-13H,14H2,1H3,(H,26,27)
• InChIKey: LGSMPUCXSYPWSM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(3-fluoro-4-methylphenyl)-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide
• IUPAC传统名: N-(3-fluoro-4-methylphenyl)-2-[(2-oxo-4-phenylchromen-7-yl)oxy]acetamide

登记号

• PubChem SID: 164251480
• PubChem CID: 1798929

理论计算性质

• Acid pKa: 12.513079
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 4.6272955
• LogD (pH = 7.4): 4.627292
• Log P: 4.6272955
• 摩尔折射率: 121.184 cm^3
• 极化性: 41.859657 Å^3
• 极化表面积: 64.63 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds