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

• ChemBase编号: 218057
• 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)OC)C)CC(=O)NCCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)Cc1c(=O)oc3c(c1C)ccc(c3C)OC)c[nH]2
• InChI: InChI=1S/C25H26N2O5/c1-14-18-6-8-22(31-4)15(2)24(18)32-25(29)19(14)12-23(28)26-10-9-16-13-27-21-7-5-17(30-3)11-20(16)21/h5-8,11,13,27H,9-10,12H2,1-4H3,(H,26,28)
• InChIKey: VOGHCPMMMYEQHT-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-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamide
• IUPAC传统名: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide

登记号

• PubChem SID: 164273967
• PubChem CID: 16408039

理论计算性质

• Acid pKa: 14.74137
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 3.3293402
• LogD (pH = 7.4): 3.3293402
• Log P: 3.3293402
• 摩尔折射率: 121.5947 cm^3
• 极化性: 47.706093 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