3-(4-ethoxyphenyl)-12-methyl-2,3,4,6,7,8,9,10-octahydro-1,11-dioxa-3-azatetraphen-10-one

• ChemBase编号: 207397
• 分子式: C24H25NO4
• 平均质量: 391.4596
• 单一同位素质量: 391.17835829
• SMILES: c12c(c3c(c(=O)o1)CCCC3)cc1c(c2C)OCN(C1)c1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)N1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCCC2
• InChI: InChI=1S/C24H25NO4/c1-3-27-18-10-8-17(9-11-18)25-13-16-12-21-19-6-4-5-7-20(19)24(26)29-23(21)15(2)22(16)28-14-25/h8-12H,3-7,13-14H2,1-2H3
• InChIKey: HCGZHWSSPNOWPX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(4-ethoxyphenyl)-12-methyl-2,3,4,6,7,8,9,10-octahydro-1,11-dioxa-3-azatetraphen-10-one
• IUPAC传统名: 3-(4-ethoxyphenyl)-12-methyl-2,4,6,7,8,9-hexahydro-1,11-dioxa-3-azatetraphen-10-one

登记号

• PubChem SID: 164263307
• PubChem CID: 1779645

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.229696
• LogD (pH = 7.4): 5.229696
• Log P: 5.229696
• 摩尔折射率: 112.1854 cm^3
• 极化性: 42.81573 Å^3
• 极化表面积: 48.0 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