6-ethyl-9-[(4-methoxyphenyl)methyl]-4-phenyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase编号: 202190
• 分子式: C27H25NO4
• 平均质量: 427.4917
• 单一同位素质量: 427.17835829
• SMILES: c12c3c(c(cc(=O)o3)c3ccccc3)cc(c1OCN(C2)Cc1ccc(cc1)OC)CC
• Canonical SMILES: CCc1cc2c(cc(=O)oc2c2c1OCN(C2)Cc1ccc(cc1)OC)c1ccccc1
• InChI: InChI=1S/C27H25NO4/c1-3-19-13-23-22(20-7-5-4-6-8-20)14-25(29)32-27(23)24-16-28(17-31-26(19)24)15-18-9-11-21(30-2)12-10-18/h4-14H,3,15-17H2,1-2H3
• InChIKey: FMRUCFIUYZBGKT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-ethyl-9-[(4-methoxyphenyl)methyl]-4-phenyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC传统名: 6-ethyl-9-[(4-methoxyphenyl)methyl]-4-phenyl-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

登记号

• PubChem SID: 164258100
• PubChem CID: 1763449

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.4248815
• LogD (pH = 7.4): 5.4631414
• Log P: 5.4636517
• 摩尔折射率: 133.6657 cm^3
• 极化性: 47.99807 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