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

• ChemBase编号: 213973
• 分子式: C19H19NO4
• 平均质量: 325.35846
• 单一同位素质量: 325.13140809
• SMILES: c1(c2c3occ(c3c(cc2oc(=O)c1CC(=O)NC1CC1)C)C)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C)NC1CC1
• InChI: InChI=1S/C19H19NO4/c1-9-6-14-17(18-16(9)10(2)8-23-18)11(3)13(19(22)24-14)7-15(21)20-12-4-5-12/h6,8,12H,4-5,7H2,1-3H3,(H,20,21)
• InChIKey: FUWLTTGWYAAXBZ-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164269883
• PubChem CID: 4869229

理论计算性质

• Acid pKa: 14.608011
• 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: 35.13058 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