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

• ChemBase编号: 211572
• 分子式: C19H19NO4
• 平均质量: 325.35846
• 单一同位素质量: 325.13140809
• SMILES: c1(c(c2c(oc1=O)cc1c(c(c(o1)C)C)c2)C)CC(=O)NC1CC1
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C)NC1CC1
• InChI: InChI=1S/C19H19NO4/c1-9-11(3)23-16-8-17-14(6-13(9)16)10(2)15(19(22)24-17)7-18(21)20-12-4-5-12/h6,8,12H,4-5,7H2,1-3H3,(H,20,21)
• InChIKey: JYCNGAMPVZJZKS-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164267482
• PubChem CID: 4838641

理论计算性质

• Acid pKa: 14.603735
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.3570356
• LogD (pH = 7.4): 2.3570356
• Log P: 2.3570356
• 摩尔折射率: 89.4162 cm^3
• 极化性: 35.12736 Å^3
• 极化表面积: 68.54 Å^2
• 可自由旋转的化学键: 3
• 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