3-(9-ethyl-9H-carbazol-3-yl)-10-methyl-6-phenyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase编号: 207363
• 分子式: C32H26N2O3
• 平均质量: 486.56044
• 单一同位素质量: 486.1943427
• SMILES: c12c(c(c3c(c2)CN(c2cc4c(n(c5c4cccc5)CC)cc2)CO3)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)N1COc2c(C1)cc1c(c2C)oc(=O)cc1c1ccccc1
• InChI: InChI=1S/C32H26N2O3/c1-3-34-28-12-8-7-11-24(28)26-16-23(13-14-29(26)34)33-18-22-15-27-25(21-9-5-4-6-10-21)17-30(35)37-32(27)20(2)31(22)36-19-33/h4-17H,3,18-19H2,1-2H3
• InChIKey: DIEQVNANYWFLAP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(9-ethyl-9H-carbazol-3-yl)-10-methyl-6-phenyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one
• IUPAC传统名: 3-(9-ethylcarbazol-3-yl)-10-methyl-6-phenyl-2H,4H-chromeno[6,7-e][1,3]oxazin-8-one

登记号

• PubChem SID: 164263273
• PubChem CID: 1779518

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 7.0415254
• LogD (pH = 7.4): 7.0415254
• Log P: 7.0415254
• 摩尔折射率: 155.5469 cm^3
• 极化性: 57.807823 Å^3
• 极化表面积: 43.7 Å^2
• 可自由旋转的化学键: 3
• 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