3-(2,4-difluorophenyl)-6-(4-methoxyphenyl)-10-methyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase编号: 205415
• 分子式: C25H19F2NO4
• 平均质量: 435.4194664
• 单一同位素质量: 435.12821453
• SMILES: c12c(c(c3c(c2)CN(c2c(cc(cc2)F)F)CO3)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1CN(COc1c2C)c1ccc(cc1F)F
• InChI: InChI=1S/C25H19F2NO4/c1-14-24-16(12-28(13-31-24)22-8-5-17(26)10-21(22)27)9-20-19(11-23(29)32-25(14)20)15-3-6-18(30-2)7-4-15/h3-11H,12-13H2,1-2H3
• InChIKey: AAMCPNKYWANYDS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(2,4-difluorophenyl)-6-(4-methoxyphenyl)-10-methyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one
• IUPAC传统名: 3-(2,4-difluorophenyl)-6-(4-methoxyphenyl)-10-methyl-2H,4H-chromeno[6,7-e][1,3]oxazin-8-one

登记号

• PubChem SID: 164261325
• PubChem CID: 1773027

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.4711337
• LogD (pH = 7.4): 5.4711337
• Log P: 5.4711337
• 摩尔折射率: 125.3834 cm^3
• 极化性: 43.286972 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds