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

• ChemBase编号: 217848
• 分子式: C20H24N2O4
• 平均质量: 356.41556
• 单一同位素质量: 356.17360726
• SMILES: c1(c2c3c(c(cc2oc(=O)c1CC(=O)NCCN(C)C)C)c(co3)C)C
• Canonical SMILES: CN(CCNC(=O)Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C)C
• InChI: InChI=1S/C20H24N2O4/c1-11-8-15-18(19-17(11)12(2)10-25-19)13(3)14(20(24)26-15)9-16(23)21-6-7-22(4)5/h8,10H,6-7,9H2,1-5H3,(H,21,23)
• InChIKey: ULGXJUDPZGASGE-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164273758
• PubChem CID: 16407839

理论计算性质

• Acid pKa: 14.687387
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.6641675
• LogD (pH = 7.4): 1.0843277
• Log P: 2.2239757
• 摩尔折射率: 100.1156 cm^3
• 极化性: 39.226772 Å^3
• 极化表面积: 71.78 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