3-(5-chloro-2,4-dimethoxyphenyl)-10-methyl-6-propyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase编号: 207260
• 分子式: C23H24ClNO5
• 平均质量: 429.89336
• 单一同位素质量: 429.13430055
• SMILES: c12c(c(cc(=O)o2)CCC)cc2c(c1C)OCN(c1cc(c(cc1OC)OC)Cl)C2
• Canonical SMILES: CCCc1cc(=O)oc2c1cc1CN(COc1c2C)c1cc(Cl)c(cc1OC)OC
• InChI: InChI=1S/C23H24ClNO5/c1-5-6-14-8-21(26)30-23-13(2)22-15(7-16(14)23)11-25(12-29-22)18-9-17(24)19(27-3)10-20(18)28-4/h7-10H,5-6,11-12H2,1-4H3
• InChIKey: OJSHYNHVECUUHI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(5-chloro-2,4-dimethoxyphenyl)-10-methyl-6-propyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one
• IUPAC传统名: 3-(5-chloro-2,4-dimethoxyphenyl)-10-methyl-6-propyl-2H,4H-chromeno[6,7-e][1,3]oxazin-8-one

登记号

• PubChem SID: 164263170
• PubChem CID: 1778536

理论计算性质

• 极化性: 44.29127 Å^3
• 极化表面积: 57.23 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 5.387437
• LogD (pH = 7.4): 5.387437
• Log P: 5.387437
• 摩尔折射率: 116.1499 cm^3

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds