4-(2,4,6-trimethylphenyl)-6,17-dioxa-4-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-16-one

• ChemBase编号: 206366
• 分子式: C23H23NO3
• 平均质量: 361.43362
• 单一同位素质量: 361.1677936
• SMILES: c12c3CN(c4c(cc(cc4C)C)C)COc3ccc2c2c(c(=O)o1)CCC2
• Canonical SMILES: Cc1cc(C)c(c(c1)C)N1COc2c(C1)c1oc(=O)c3c(c1cc2)CCC3
• InChI: InChI=1S/C23H23NO3/c1-13-9-14(2)21(15(3)10-13)24-11-19-20(26-12-24)8-7-17-16-5-4-6-18(16)23(25)27-22(17)19/h7-10H,4-6,11-12H2,1-3H3
• InChIKey: DWLBTYTVBIUQFZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(2,4,6-trimethylphenyl)-6,17-dioxa-4-azatetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-1,7,9,11(15)-tetraen-16-one
• IUPAC传统名: 4-(2,4,6-trimethylphenyl)-6,17-dioxa-4-azatetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-1,7,9,11(15)-tetraen-16-one

登记号

• PubChem SID: 164262276
• PubChem CID: 1807550

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.6128335
• LogD (pH = 7.4): 5.6128335
• Log P: 5.6128335
• 摩尔折射率: 106.455 cm^3
• 极化性: 40.143433 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 1
• 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