N-(2-methoxyethyl)-2-{3,4,9-trimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide

• ChemBase编号: 214516
• 分子式: C19H21NO5
• 平均质量: 343.37374
• 单一同位素质量: 343.14197278
• SMILES: c1(c2c3occ(c3c(cc2oc(=O)c1CC(=O)NCCOC)C)C)C
• Canonical SMILES: COCCNC(=O)Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C
• InChI: InChI=1S/C19H21NO5/c1-10-7-14-17(18-16(10)11(2)9-24-18)12(3)13(19(22)25-14)8-15(21)20-5-6-23-4/h7,9H,5-6,8H2,1-4H3,(H,20,21)
• InChIKey: SYMNHQXSNJKVRT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-2-{3,4,9-trimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide
• IUPAC传统名: N-(2-methoxyethyl)-2-{3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl}acetamide

登记号

• PubChem SID: 164270426
• PubChem CID: 4967750

理论计算性质

• Acid pKa: 14.629116
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.1583557
• LogD (pH = 7.4): 2.1583557
• Log P: 2.1583557
• 摩尔折射率: 93.14 cm^3
• 极化性: 36.557938 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