3-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-methyl-N-[2-(pyridin-2-yl)ethyl]propanamide

• ChemBase编号: 220907
• 分子式: C24H24N2O4
• 平均质量: 404.45836
• 单一同位素质量: 404.17360726
• SMILES: c1(c(c2c(oc1=O)cc1c(c2)c(co1)C)C)CCC(=O)N(CCc1ncccc1)C
• Canonical SMILES: O=C(N(CCc1ccccn1)C)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C
• InChI: InChI=1S/C24H24N2O4/c1-15-14-29-21-13-22-20(12-19(15)21)16(2)18(24(28)30-22)7-8-23(27)26(3)11-9-17-6-4-5-10-25-17/h4-6,10,12-14H,7-9,11H2,1-3H3
• InChIKey: OATUJLGQPUBAPS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-methyl-N-[2-(pyridin-2-yl)ethyl]propanamide
• IUPAC传统名: 3-{3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl}-N-methyl-N-[2-(pyridin-2-yl)ethyl]propanamide

登记号

• PubChem SID: 164276817
• PubChem CID: 42506999

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.1414657
• LogD (pH = 7.4): 3.1848555
• Log P: 3.1854398
• 摩尔折射率: 113.1859 cm^3
• 极化性: 44.62963 Å^3
• 极化表面积: 72.64 Å^2
• 可自由旋转的化学键: 6
• 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