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

• ChemBase编号: 214400
• 分子式: C23H21NO4
• 平均质量: 375.41714
• 单一同位素质量: 375.14705816
• SMILES: c1(c(c2c(oc1=O)cc1c(c(co1)c1ccccc1)c2)C)CC(=O)NC(C)C
• Canonical SMILES: CC(NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1)C
• InChI: InChI=1S/C23H21NO4/c1-13(2)24-22(25)10-17-14(3)16-9-18-19(15-7-5-4-6-8-15)12-27-20(18)11-21(16)28-23(17)26/h4-9,11-13H,10H2,1-3H3,(H,24,25)
• InChIKey: WPKPJNLRUCFMKJ-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164270310
• PubChem CID: 4869949

理论计算性质

• Acid pKa: 14.70533
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.5990968
• LogD (pH = 7.4): 3.5990968
• Log P: 3.5990968
• 摩尔折射率: 106.3177 cm^3
• 极化性: 43.312088 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