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

• ChemBase编号: 214276
• 分子式: C23H21NO6
• 平均质量: 407.41594
• 单一同位素质量: 407.1368874
• SMILES: c1(c(c2c(oc1=O)cc1c(c2)c(co1)C)C)CC(=O)Nc1cc(cc(c1)OC)OC
• Canonical SMILES: COc1cc(NC(=O)Cc2c(=O)oc3c(c2C)cc2c(c3)occ2C)cc(c1)OC
• InChI: InChI=1S/C23H21NO6/c1-12-11-29-20-10-21-18(8-17(12)20)13(2)19(23(26)30-21)9-22(25)24-14-5-15(27-3)7-16(6-14)28-4/h5-8,10-11H,9H2,1-4H3,(H,24,25)
• InChIKey: SLTKNMIWMZFENJ-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164270186
• PubChem CID: 4869758

理论计算性质

• Acid pKa: 10.933703
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 3.3941343
• LogD (pH = 7.4): 3.3940089
• Log P: 3.3941357
• 摩尔折射率: 111.5401 cm^3
• 极化性: 43.19167 Å^3
• 极化表面积: 87.0 Å^2
• 可自由旋转的化学键: 5
• 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