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

• ChemBase编号: 207513
• 分子式: C26H22N2O3
• 平均质量: 410.46448
• 单一同位素质量: 410.16304257
• SMILES: c12c3c(c(cc(=O)o3)C)ccc2OCN(C1)c1cc2c(n(c3c2cccc3)CC)cc1
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)N1COc2c(C1)c1oc(=O)cc(c1cc2)C
• InChI: InChI=1S/C26H22N2O3/c1-3-28-22-7-5-4-6-19(22)20-13-17(8-10-23(20)28)27-14-21-24(30-15-27)11-9-18-16(2)12-25(29)31-26(18)21/h4-13H,3,14-15H2,1-2H3
• InChIKey: NAUJXQBGKMRJEL-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164263423
• PubChem CID: 1779961

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.3943
• LogD (pH = 7.4): 5.3943
• Log P: 5.3943
• 摩尔折射率: 121.235 cm^3
• 极化性: 48.259247 Å^3
• 极化表面积: 43.7 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