7-benzyl-6,10-dimethyl-3-(4-phenoxyphenyl)-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase编号: 204660
• 分子式: C32H27NO4
• 平均质量: 489.56108
• 单一同位素质量: 489.19400835
• SMILES: c12c(c(c(c(=O)o1)Cc1ccccc1)C)cc1c(c2C)OCN(C1)c1ccc(Oc2ccccc2)cc1
• Canonical SMILES: Cc1c2OCN(Cc2cc2c1oc(=O)c(c2C)Cc1ccccc1)c1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C32H27NO4/c1-21-28-18-24-19-33(25-13-15-27(16-14-25)36-26-11-7-4-8-12-26)20-35-30(24)22(2)31(28)37-32(34)29(21)17-23-9-5-3-6-10-23/h3-16,18H,17,19-20H2,1-2H3
• InChIKey: UGPIXTJOFJUOEE-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164260570
• PubChem CID: 1769329

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 7.683808
• LogD (pH = 7.4): 7.683808
• Log P: 7.683808
• 摩尔折射率: 144.5106 cm^3
• 极化性: 55.44422 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