N-[2-(1H-indol-3-yl)ethyl]-2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamide

• ChemBase编号: 212921
• 分子式: C24H24N2O4
• 平均质量: 404.45836
• 单一同位素质量: 404.17360726
• SMILES: c1(c2c(oc(=O)c1C)cc(cc2OCC(=O)NCCc1c[nH]c2c1cccc2)C)C
• Canonical SMILES: O=C(COc1cc(C)cc2c1c(C)c(c(=O)o2)C)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C24H24N2O4/c1-14-10-20(23-15(2)16(3)24(28)30-21(23)11-14)29-13-22(27)25-9-8-17-12-26-19-7-5-4-6-18(17)19/h4-7,10-12,26H,8-9,13H2,1-3H3,(H,25,27)
• InChIKey: MPBSDEOKEAJHRH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(1H-indol-3-yl)ethyl]-2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamide
• IUPAC传统名: N-[2-(1H-indol-3-yl)ethyl]-2-[(3,4,7-trimethyl-2-oxochromen-5-yl)oxy]acetamide

登记号

• PubChem SID: 164268831
• PubChem CID: 4966198

理论计算性质

• Acid pKa: 15.033606
• 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: 45.193768 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