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

• ChemBase编号: 204595
• 分子式: C32H27NO5
• 平均质量: 505.56048
• 单一同位素质量: 505.18892297
• SMILES: c12c(c(c3c(c2)CN(CO3)c2ccc(OCc3ccccc3)cc2)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1CN(COc1c2C)c1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C32H27NO5/c1-21-31-24(16-29-28(17-30(34)38-32(21)29)23-8-12-26(35-2)13-9-23)18-33(20-37-31)25-10-14-27(15-11-25)36-19-22-6-4-3-5-7-22/h3-17H,18-20H2,1-2H3
• InChIKey: PPZJMCCACMPNDY-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164260505
• PubChem CID: 1769137

理论计算性质

• 摩尔折射率: 156.0264 cm^3
• 极化性: 56.034454 Å^3
• 极化表面积: 57.23 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 6.752532
• LogD (pH = 7.4): 6.752532
• Log P: 6.752532

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds