N-cyclopropyl-2-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide

• ChemBase编号: 212925
• 分子式: C19H19NO4
• 平均质量: 325.35846
• 单一同位素质量: 325.13140809
• SMILES: c12c(c(c(c(=O)o1)CC(=O)NC1CC1)C)cc1c(c2C)occ1C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C)NC1CC1
• InChI: InChI=1S/C19H19NO4/c1-9-8-23-17-11(3)18-14(6-13(9)17)10(2)15(19(22)24-18)7-16(21)20-12-4-5-12/h6,8,12H,4-5,7H2,1-3H3,(H,20,21)
• InChIKey: WFULTWHTOUSXQS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-2-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide
• IUPAC传统名: N-cyclopropyl-2-{3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl}acetamide

登记号

• PubChem SID: 164268835
• PubChem CID: 4966202

理论计算性质

• Acid pKa: 14.671469
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.6708958
• LogD (pH = 7.4): 2.6708958
• Log P: 2.6708958
• 摩尔折射率: 89.3077 cm^3
• 极化性: 35.130005 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