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

• ChemBase编号: 204622
• 分子式: C23H25NO3
• 平均质量: 363.4495
• 单一同位素质量: 363.18344367
• SMILES: N1(c2c(cc(cc2C)C)C)Cc2c(c(c3c(c(cc(=O)o3)CC)c2)C)OC1
• Canonical SMILES: CCc1cc(=O)oc2c1cc1CN(COc1c2C)c1c(C)cc(cc1C)C
• InChI: InChI=1S/C23H25NO3/c1-6-17-10-20(25)27-23-16(5)22-18(9-19(17)23)11-24(12-26-22)21-14(3)7-13(2)8-15(21)4/h7-10H,6,11-12H2,1-5H3
• InChIKey: NMGASMPTECVZOA-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164260532
• PubChem CID: 1769210

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.1944304
• LogD (pH = 7.4): 6.1944304
• Log P: 6.1944304
• 摩尔折射率: 108.9413 cm^3
• 极化性: 40.79888 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