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

• ChemBase编号: 214284
• 分子式: C23H19NO4
• 平均质量: 373.40126
• 单一同位素质量: 373.13140809
• SMILES: c1(c(c2c(oc1=O)cc1c(c(co1)c1ccccc1)c2)C)CC(=O)NC1CC1
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1)NC1CC1
• InChI: InChI=1S/C23H19NO4/c1-13-16-9-18-19(14-5-3-2-4-6-14)12-27-20(18)11-21(16)28-23(26)17(13)10-22(25)24-15-7-8-15/h2-6,9,11-12,15H,7-8,10H2,1H3,(H,24,25)
• InChIKey: JCRXKFDOHJVROJ-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164270194
• PubChem CID: 4869779

理论计算性质

• Acid pKa: 14.660742
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.2912784
• LogD (pH = 7.4): 3.2912784
• Log P: 3.2912784
• 摩尔折射率: 104.3615 cm^3
• 极化性: 42.575233 Å^3
• 极化表面积: 68.54 Å^2
• 可自由旋转的化学键: 4
• 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