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

• ChemBase编号: 205258
• 分子式: C23H25NO3
• 平均质量: 363.4495
• 单一同位素质量: 363.18344367
• SMILES: c12c(c(cc(=O)o2)CC)cc2c(c1C)OCN(C2)CC(c1ccccc1)C
• Canonical SMILES: CCc1cc(=O)oc2c1cc1CN(COc1c2C)CC(c1ccccc1)C
• InChI: InChI=1S/C23H25NO3/c1-4-17-11-21(25)27-23-16(3)22-19(10-20(17)23)13-24(14-26-22)12-15(2)18-8-6-5-7-9-18/h5-11,15H,4,12-14H2,1-3H3
• InChIKey: JUTAMKMAPXBSOS-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164261168
• PubChem CID: 4552473

理论计算性质

• LogD (pH = 5.5): 4.472994
• LogD (pH = 7.4): 5.12158
• Log P: 5.141153
• 摩尔折射率: 107.1584 cm^3
• 极化性: 41.347824 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false
• 质子受体: 3
• 质子供体: 0

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds