N-[2-(1H-indol-3-yl)ethyl]-2-{5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}acetamide

• ChemBase编号: 219760
• 分子式: C30H24N2O4
• 平均质量: 476.52256
• 单一同位素质量: 476.17360726
• SMILES: c1(c(c2c(oc1=O)cc1c(c(co1)c1ccccc1)c2)C)CC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C30H24N2O4/c1-18-22-13-24-25(19-7-3-2-4-8-19)17-35-27(24)15-28(22)36-30(34)23(18)14-29(33)31-12-11-20-16-32-26-10-6-5-9-21(20)26/h2-10,13,15-17,32H,11-12,14H2,1H3,(H,31,33)
• InChIKey: RDPYVRRJBPSNIL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(1H-indol-3-yl)ethyl]-2-{5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}acetamide
• IUPAC传统名: N-[2-(1H-indol-3-yl)ethyl]-2-{5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl}acetamide

登记号

• PubChem SID: 164275670
• PubChem CID: 16409652

理论计算性质

• Acid pKa: 14.772523
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 4.93761
• LogD (pH = 7.4): 4.93761
• Log P: 4.93761
• 摩尔折射率: 137.6044 cm^3
• 极化性: 56.33122 Å^3
• 极化表面积: 84.33 Å^2
• 可自由旋转的化学键: 6
• 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