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

• ChemBase编号: 204819
• 分子式: C25H21NO3
• 平均质量: 383.43914
• 单一同位素质量: 383.15214354
• SMILES: c12c(c(c3c(c2)CN(CO3)c2c(C)cccc2)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: O=c1oc2c(C)c3OCN(Cc3cc2c(c1)c1ccccc1)c1ccccc1C
• InChI: InChI=1S/C25H21NO3/c1-16-8-6-7-11-22(16)26-14-19-12-21-20(18-9-4-3-5-10-18)13-23(27)29-25(21)17(2)24(19)28-15-26/h3-13H,14-15H2,1-2H3
• InChIKey: DBROWRAMHARJIM-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164260729
• PubChem CID: 1770487

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.8568225
• LogD (pH = 7.4): 5.8568225
• Log P: 5.8568225
• 摩尔折射率: 123.5286 cm^3
• 极化性: 43.18259 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 2
• 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