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

• ChemBase编号: 205669
• 分子式: C23H25NO4
• 平均质量: 379.4489
• 单一同位素质量: 379.17835829
• SMILES: c12c(c(cc(=O)o2)CCC)cc2c(c1C)OCN(C2)Cc1c(OC)cccc1
• Canonical SMILES: CCCc1cc(=O)oc2c1cc1CN(COc1c2C)Cc1ccccc1OC
• InChI: InChI=1S/C23H25NO4/c1-4-7-16-11-21(25)28-23-15(2)22-18(10-19(16)23)13-24(14-27-22)12-17-8-5-6-9-20(17)26-3/h5-6,8-11H,4,7,12-14H2,1-3H3
• InChIKey: KNXKKZYHQPPYOO-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164261579
• PubChem CID: 1774506

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.7351356
• LogD (pH = 7.4): 4.773899
• Log P: 4.7744164
• 摩尔折射率: 108.996 cm^3
• 极化性: 42.089676 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 5
• 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