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

• ChemBase编号: 214494
• 分子式: C24H23NO5
• 平均质量: 405.44312
• 单一同位素质量: 405.15762284
• SMILES: c1(c(c2c(oc1=O)cc1c(c(co1)c1ccccc1)c2)C)CC(=O)NCCCOC
• Canonical SMILES: COCCCNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1
• InChI: InChI=1S/C24H23NO5/c1-15-17-11-19-20(16-7-4-3-5-8-16)14-29-21(19)13-22(17)30-24(27)18(15)12-23(26)25-9-6-10-28-2/h3-5,7-8,11,13-14H,6,9-10,12H2,1-2H3,(H,25,26)
• InChIKey: SVQYDDPWPIIJED-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164270404
• PubChem CID: 4967700

理论计算性质

• Acid pKa: 14.746933
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.838698
• LogD (pH = 7.4): 2.8386981
• Log P: 2.8386981
• 摩尔折射率: 113.0592 cm^3
• 极化性: 45.82644 Å^3
• 极化表面积: 77.77 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