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

• ChemBase编号: 216583
• 分子式: C26H28N2O5
• 平均质量: 448.51092
• 单一同位素质量: 448.19982201
• SMILES: c1(c2c(oc(=O)c1)cc(cc2OCC(=O)NCCc1c2c([nH]c1)ccc(c2)OC)C)CCC
• Canonical SMILES: CCCc1cc(=O)oc2c1c(OCC(=O)NCCc1c[nH]c3c1cc(OC)cc3)cc(c2)C
• InChI: InChI=1S/C26H28N2O5/c1-4-5-17-12-25(30)33-23-11-16(2)10-22(26(17)23)32-15-24(29)27-9-8-18-14-28-21-7-6-19(31-3)13-20(18)21/h6-7,10-14,28H,4-5,8-9,15H2,1-3H3,(H,27,29)
• InChIKey: UCEADAUVPXWRPM-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164272493
• PubChem CID: 16406866

理论计算性质

• Acid pKa: 14.968372
• 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: 49.54802 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