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

• ChemBase编号: 216610
• 分子式: C25H26N2O5
• 平均质量: 434.48434
• 单一同位素质量: 434.18417194
• SMILES: c12oc(=O)c(c(c1ccc(c2C)OCC(=O)NCCc1c2c([nH]c1)ccc(c2)OC)C)C
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)COc1ccc3c(c1C)oc(=O)c(c3C)C)c[nH]2
• InChI: InChI=1S/C25H26N2O5/c1-14-15(2)25(29)32-24-16(3)22(8-6-19(14)24)31-13-23(28)26-10-9-17-12-27-21-7-5-18(30-4)11-20(17)21/h5-8,11-12,27H,9-10,13H2,1-4H3,(H,26,28)
• InChIKey: AHUWNPPUDPUXTM-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164272520
• PubChem CID: 16406882

理论计算性质

• Acid pKa: 14.824945
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 3.6829967
• LogD (pH = 7.4): 3.6829965
• Log P: 3.6829967
• 摩尔折射率: 121.4129 cm^3
• 极化性: 47.70566 Å^3
• 极化表面积: 89.65 Å^2
• 可自由旋转的化学键: 7
• 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