2-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[1-(2-methoxyethyl)-1H-indol-4-yl]acetamide

• ChemBase编号: 225664
• 分子式: C24H24N2O5
• 平均质量: 420.45776
• 单一同位素质量: 420.16852188
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OC)CC(=O)Nc1c2ccn(c2ccc1)CCOC
• Canonical SMILES: COCCn1ccc2c1cccc2NC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)OC
• InChI: InChI=1S/C24H24N2O5/c1-15-17-8-7-16(30-3)13-22(17)31-24(28)19(15)14-23(27)25-20-5-4-6-21-18(20)9-10-26(21)11-12-29-2/h4-10,13H,11-12,14H2,1-3H3,(H,25,27)
• InChIKey: VWEFXNDJLXTZDG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[1-(2-methoxyethyl)-1H-indol-4-yl]acetamide
• IUPAC传统名: 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide

登记号

• PubChem SID: 164281574
• PubChem CID: 71753443

理论计算性质

• Acid pKa: 10.940329
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 3.1547232
• LogD (pH = 7.4): 3.1545997
• Log P: 3.1547248
• 摩尔折射率: 118.2213 cm^3
• 极化性: 45.86717 Å^3
• 极化表面积: 78.79 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