N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[(8-methyl-2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetamide

• ChemBase编号: 216536
• 分子式: C26H28N2O5
• 平均质量: 448.51092
• 单一同位素质量: 448.19982201
• SMILES: c12c(c(cc(=O)o1)CCC)ccc(c2C)OCC(=O)NCCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: CCCc1cc(=O)oc2c1ccc(c2C)OCC(=O)NCCc1c[nH]c2c1cc(OC)cc2
• InChI: InChI=1S/C26H28N2O5/c1-4-5-17-12-25(30)33-26-16(2)23(9-7-20(17)26)32-15-24(29)27-11-10-18-14-28-22-8-6-19(31-3)13-21(18)22/h6-9,12-14,28H,4-5,10-11,15H2,1-3H3,(H,27,29)
• InChIKey: QGRHXINRWYSJAB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[(8-methyl-2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetamide
• IUPAC传统名: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[(8-methyl-2-oxo-4-propylchromen-7-yl)oxy]acetamide

登记号

• PubChem SID: 164272446
• PubChem CID: 16406836

理论计算性质

• Acid pKa: 14.82555
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 4.1765833
• LogD (pH = 7.4): 4.1765833
• Log P: 4.1765833
• 摩尔折射率: 126.2578 cm^3
• 极化性: 49.547955 Å^3
• 极化表面积: 89.65 Å^2
• 可自由旋转的化学键: 9
• 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