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

• ChemBase编号: 205153
• 分子式: C32H26N2O4
• 平均质量: 502.55984
• 单一同位素质量: 502.18925732
• SMILES: c12c3CN(c4cc5c(n(c6c5cccc6)CC)cc4)COc3ccc1c(cc(=O)o2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)c1ccc2c(c1)c1ccccc1n2CC
• InChI: InChI=1S/C32H26N2O4/c1-3-34-28-7-5-4-6-23(28)26-16-21(10-14-29(26)34)33-18-27-30(37-19-33)15-13-24-25(17-31(35)38-32(24)27)20-8-11-22(36-2)12-9-20/h4-17H,3,18-19H2,1-2H3
• InChIKey: ANXGLKHVYKIDRS-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164261063
• PubChem CID: 1772091

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 6.3704324
• LogD (pH = 7.4): 6.3704324
• Log P: 6.3704324
• 摩尔折射率: 156.9689 cm^3
• 极化性: 58.518932 Å^3
• 极化表面积: 52.93 Å^2
• 可自由旋转的化学键: 4
• 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