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

• ChemBase编号: 204767
• 分子式: C24H27NO5
• 平均质量: 409.47488
• 单一同位素质量: 409.18892297
• SMILES: c12c(c(cc(=O)o2)CCC)cc2c(c1C)OCN(C2)Cc1c(cc(cc1)OC)OC
• Canonical SMILES: CCCc1cc(=O)oc2c1cc1CN(COc1c2C)Cc1ccc(cc1OC)OC
• InChI: InChI=1S/C24H27NO5/c1-5-6-16-10-22(26)30-24-15(2)23-18(9-20(16)24)13-25(14-29-23)12-17-7-8-19(27-3)11-21(17)28-4/h7-11H,5-6,12-14H2,1-4H3
• InChIKey: CIUIFJFXGQLGDP-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164260677
• PubChem CID: 1770302

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 4.595658
• LogD (pH = 7.4): 4.616473
• Log P: 4.616745
• 摩尔折射率: 115.4592 cm^3
• 极化性: 44.607582 Å^3
• 极化表面积: 57.23 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