2-[(4,5-dimethoxy-1H-indol-2-yl)formamido]-N-[2-(1H-indol-3-yl)ethyl]acetamide

• ChemBase编号: 220929
• 分子式: C23H24N4O4
• 平均质量: 420.46106
• 单一同位素质量: 420.17975527
• SMILES: c12cc([nH]c1ccc(c2OC)OC)C(=O)NCC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: COc1c(OC)ccc2c1cc([nH]2)C(=O)NCC(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C23H24N4O4/c1-30-20-8-7-18-16(22(20)31-2)11-19(27-18)23(29)26-13-21(28)24-10-9-14-12-25-17-6-4-3-5-15(14)17/h3-8,11-12,25,27H,9-10,13H2,1-2H3,(H,24,28)(H,26,29)
• InChIKey: ZGFSXEVIOKAEIO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(4,5-dimethoxy-1H-indol-2-yl)formamido]-N-[2-(1H-indol-3-yl)ethyl]acetamide
• IUPAC传统名: 2-[(4,5-dimethoxy-1H-indol-2-yl)formamido]-N-[2-(1H-indol-3-yl)ethyl]acetamide

登记号

• PubChem SID: 164276839
• PubChem CID: 42507025

理论计算性质

• Acid pKa: 12.97424
• 质子受体: 4
• 质子供体: 4
• LogD (pH = 5.5): 1.7575958
• LogD (pH = 7.4): 1.7575948
• Log P: 1.7575958
• 摩尔折射率: 117.1811 cm^3
• 极化性: 46.779377 Å^3
• 极化表面积: 108.24 Å^2
• 可自由旋转的化学键: 8
• 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