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

• ChemBase编号: 205977
• 分子式: C24H27NO6
• 平均质量: 425.47428
• 单一同位素质量: 425.18383759
• SMILES: c12c(c(c(c(=O)o1)C)C)cc1c(c2C)OCN(C1)Cc1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(CN2COc3c(C2)cc2c(c3C)oc(=O)c(c2C)C)cc(c1OC)OC
• InChI: InChI=1S/C24H27NO6/c1-13-14(2)24(26)31-22-15(3)21-17(9-18(13)22)11-25(12-30-21)10-16-7-19(27-4)23(29-6)20(8-16)28-5/h7-9H,10-12H2,1-6H3
• InChIKey: REZNYMQSJCNCML-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164261887
• PubChem CID: 1806347

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 3.9467788
• LogD (pH = 7.4): 3.9652462
• Log P: 3.965487
• 摩尔折射率: 117.0775 cm^3
• 极化性: 45.296257 Å^3
• 极化表面积: 66.46 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