N-[2-(1H-indol-3-yl)ethyl]-2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase编号: 211144
• 分子式: C24H24N2O4
• 平均质量: 404.45836
• 单一同位素质量: 404.17360726
• SMILES: c12oc(=O)c(c(c1ccc(c2C)OCC(=O)NCCc1c[nH]c2c1cccc2)C)C
• Canonical SMILES: O=C(COc1ccc2c(c1C)oc(=O)c(c2C)C)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C24H24N2O4/c1-14-15(2)24(28)30-23-16(3)21(9-8-18(14)23)29-13-22(27)25-11-10-17-12-26-20-7-5-4-6-19(17)20/h4-9,12,26H,10-11,13H2,1-3H3,(H,25,27)
• InChIKey: FDYQXCORWIBLAG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(1H-indol-3-yl)ethyl]-2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
• IUPAC传统名: N-[2-(1H-indol-3-yl)ethyl]-2-[(3,4,8-trimethyl-2-oxochromen-7-yl)oxy]acetamide

登记号

• PubChem SID: 164267054
• PubChem CID: 4837681

理论计算性质

• Acid pKa: 14.928384
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 3.840668
• LogD (pH = 7.4): 3.840668
• Log P: 3.840668
• 摩尔折射率: 114.9497 cm^3
• 极化性: 45.1937 Å^3
• 极化表面积: 80.42 Å^2
• 可自由旋转的化学键: 6
• 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