N-(3,5-dimethoxyphenyl)-2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide

• ChemBase编号: 220340
• 分子式: C20H19NO6
• 平均质量: 369.36796
• 单一同位素质量: 369.12123733
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)O)CC(=O)Nc1cc(cc(c1)OC)OC
• Canonical SMILES: COc1cc(NC(=O)Cc2c(=O)oc3c(c2C)ccc(c3)O)cc(c1)OC
• InChI: InChI=1S/C20H19NO6/c1-11-16-5-4-13(22)8-18(16)27-20(24)17(11)10-19(23)21-12-6-14(25-2)9-15(7-12)26-3/h4-9,22H,10H2,1-3H3,(H,21,23)
• InChIKey: SLFREUSDKDPDKB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(3,5-dimethoxyphenyl)-2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide
• IUPAC传统名: N-(3,5-dimethoxyphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide

登记号

• PubChem SID: 164276250
• PubChem CID: 6226437

理论计算性质

• Acid pKa: 7.766507
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 2.4156957
• LogD (pH = 7.4): 2.2638245
• Log P: 2.4180257
• 摩尔折射率: 99.6387 cm^3
• 极化性: 37.68771 Å^3
• 极化表面积: 94.09 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