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

• ChemBase编号: 216950
• 分子式: C28H24N2O5
• 平均质量: 468.50056
• 单一同位素质量: 468.16852188
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)NCCc1c3c([nH]c1)ccc(c3)OC)cc2)c1ccccc1
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)COc1ccc3c(c1)oc(=O)cc3c1ccccc1)c[nH]2
• InChI: InChI=1S/C28H24N2O5/c1-33-20-8-10-25-24(13-20)19(16-30-25)11-12-29-27(31)17-34-21-7-9-22-23(18-5-3-2-4-6-18)15-28(32)35-26(22)14-21/h2-10,13-16,30H,11-12,17H2,1H3,(H,29,31)
• InChIKey: ZGYZTTAOIQVCBD-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164272860
• PubChem CID: 16407107

理论计算性质

• Acid pKa: 14.676692
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 3.9078288
• LogD (pH = 7.4): 3.9078288
• Log P: 3.9078288
• 摩尔折射率: 141.2853 cm^3
• 极化性: 51.84656 Å^3
• 极化表面积: 89.65 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