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

• ChemBase编号: 220168
• 分子式: C25H26N2O4
• 平均质量: 418.48494
• 单一同位素质量: 418.18925732
• SMILES: c1(c(c2c(oc1=O)cc1c(c(c(o1)C)C)c2)C)CCC(=O)N(CCc1ncccc1)C
• Canonical SMILES: O=C(N(CCc1ccccn1)C)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
• InChI: InChI=1S/C25H26N2O4/c1-15-17(3)30-22-14-23-21(13-20(15)22)16(2)19(25(29)31-23)8-9-24(28)27(4)12-10-18-7-5-6-11-26-18/h5-7,11,13-14H,8-10,12H2,1-4H3
• InChIKey: GEQPAVZSGGKMRO-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164276078
• PubChem CID: 17572004

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.341027
• LogD (pH = 7.4): 3.3844168
• Log P: 3.3850012
• 摩尔折射率: 118.3356 cm^3
• 极化性: 46.393425 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