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

• ChemBase编号: 205081
• 分子式: C28H27NO4
• 平均质量: 441.51828
• 单一同位素质量: 441.19400835
• SMILES: c12c(c(c3c(c2)CN(CO3)CC(c2ccccc2)C)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1CN(COc1c2C)CC(c1ccccc1)C
• InChI: InChI=1S/C28H27NO4/c1-18(20-7-5-4-6-8-20)15-29-16-22-13-25-24(21-9-11-23(31-3)12-10-21)14-26(30)33-28(25)19(2)27(22)32-17-29/h4-14,18H,15-17H2,1-3H3
• InChIKey: AGQUCBAWQAMFJI-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164260991
• PubChem CID: 3696643

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.0076084
• LogD (pH = 7.4): 5.653315
• Log P: 5.672717
• 摩尔折射率: 138.2913 cm^3
• 极化性: 49.76764 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: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds