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

• ChemBase编号: 223246
• 分子式: C19H21NO5
• 平均质量: 343.37374
• 单一同位素质量: 343.14197278
• SMILES: c1(c(c2c(oc1=O)cc1c(c(c(o1)C)C)c2)C)CC(=O)NCCOC
• Canonical SMILES: COCCNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
• InChI: InChI=1S/C19H21NO5/c1-10-12(3)24-16-9-17-14(7-13(10)16)11(2)15(19(22)25-17)8-18(21)20-5-6-23-4/h7,9H,5-6,8H2,1-4H3,(H,20,21)
• InChIKey: OZLJVDVJDYYZDP-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164279156
• PubChem CID: 49652083

理论计算性质

• Acid pKa: 14.633325
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.8444957
• LogD (pH = 7.4): 1.8444957
• Log P: 1.8444957
• 摩尔折射率: 93.2485 cm^3
• 极化性: 36.554745 Å^3
• 极化表面积: 77.77 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