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

• ChemBase编号: 206374
• 分子式: C28H26N2O3
• 平均质量: 438.51764
• 单一同位素质量: 438.1943427
• SMILES: c12c(c(c(c(=O)o1)C)C)cc1c(c2C)OCN(C1)c1cc2c(n(c3c2cccc3)CC)cc1
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)N1COc2c(C1)cc1c(c2C)oc(=O)c(c1C)C
• InChI: InChI=1S/C28H26N2O3/c1-5-30-24-9-7-6-8-21(24)23-13-20(10-11-25(23)30)29-14-19-12-22-16(2)17(3)28(31)33-27(22)18(4)26(19)32-15-29/h6-13H,5,14-15H2,1-4H3
• InChIKey: RWOJAAHEWJBGSL-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164262284
• PubChem CID: 1807567

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.303272
• LogD (pH = 7.4): 6.303272
• Log P: 6.303272
• 摩尔折射率: 130.6333 cm^3
• 极化性: 51.873833 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