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

• ChemBase编号: 205998
• 分子式: C31H25NO4
• 平均质量: 475.5345
• 单一同位素质量: 475.17835829
• SMILES: c12c(c(c3c(c2)CN(CO3)c2ccc(OCc3ccccc3)cc2)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: O=c1cc(c2ccccc2)c2c(o1)c(C)c1c(c2)CN(CO1)c1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C31H25NO4/c1-21-30-24(16-28-27(17-29(33)36-31(21)28)23-10-6-3-7-11-23)18-32(20-35-30)25-12-14-26(15-13-25)34-19-22-8-4-2-5-9-22/h2-17H,18-20H2,1H3
• InChIKey: MJVXJYOVBFRJQT-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164261908
• PubChem CID: 1806432

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 6.910203
• LogD (pH = 7.4): 6.910203
• Log P: 6.910203
• 摩尔折射率: 149.5632 cm^3
• 极化性: 53.529102 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