2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[2-(trifluoromethyl)phenyl]acetamide

• ChemBase编号: 196881
• 分子式: C19H14F3NO4
• 平均质量: 377.3139696
• 单一同位素质量: 377.08749259
• SMILES: C(c1c(NC(=O)COc2cc3oc(=O)cc(c3cc2)C)cccc1)(F)(F)F
• Canonical SMILES: O=C(Nc1ccccc1C(F)(F)F)COc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C19H14F3NO4/c1-11-8-18(25)27-16-9-12(6-7-13(11)16)26-10-17(24)23-15-5-3-2-4-14(15)19(20,21)22/h2-9H,10H2,1H3,(H,23,24)
• InChIKey: OGWNOKKAHLTRLF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[2-(trifluoromethyl)phenyl]acetamide
• IUPAC传统名: 2-[(4-methyl-2-oxochromen-7-yl)oxy]-N-[2-(trifluoromethyl)phenyl]acetamide

登记号

• PubChem SID: 164252791
• PubChem CID: 1149745

理论计算性质

• LogD (pH = 7.4): 3.7152019
• Log P: 3.7152166
• 摩尔折射率: 92.6294 cm^3
• 极化性: 33.83462 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
• Acid pKa: 11.850393
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 3.7152164

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds