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

• ChemBase编号: 207559
• 分子式: C28H27NO6
• 平均质量: 473.51708
• 单一同位素质量: 473.18383759
• SMILES: c12c(c(c3c(c2)CN(CO3)Cc2cc(c(c(c2)OC)OC)OC)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: COc1cc(CN2COc3c(C2)cc2c(c3C)oc(=O)cc2c2ccccc2)cc(c1OC)OC
• InChI: InChI=1S/C28H27NO6/c1-17-26-20(12-22-21(13-25(30)35-27(17)22)19-8-6-5-7-9-19)15-29(16-34-26)14-18-10-23(31-2)28(33-4)24(11-18)32-3/h5-13H,14-16H2,1-4H3
• InChIKey: ILIMQPJELCUGPI-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164263469
• PubChem CID: 1780100

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 4.6854935
• LogD (pH = 7.4): 4.703506
• Log P: 4.7037406
• 摩尔折射率: 141.9911 cm^3
• 极化性: 51.18929 Å^3
• 极化表面积: 66.46 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