3-(4-methoxyphenyl)-12-methyl-2,3,4,10-tetrahydro-1,11-dioxa-3-azatetraphen-10-one

• ChemBase编号: 207035
• 分子式: C23H19NO4
• 平均质量: 373.40126
• 单一同位素质量: 373.13140809
• SMILES: c12c(c3c(c(=O)o1)cccc3)cc1c(c2C)OCN(C1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)N1COc2c(C1)cc1c(c2C)oc(=O)c2c1cccc2
• InChI: InChI=1S/C23H19NO4/c1-14-21-15(12-24(13-27-21)16-7-9-17(26-2)10-8-16)11-20-18-5-3-4-6-19(18)23(25)28-22(14)20/h3-11H,12-13H2,1-2H3
• InChIKey: XLCFSVYOZVGHME-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(4-methoxyphenyl)-12-methyl-2,3,4,10-tetrahydro-1,11-dioxa-3-azatetraphen-10-one
• IUPAC传统名: 3-(4-methoxyphenyl)-12-methyl-2,4-dihydro-1,11-dioxa-3-azatetraphen-10-one

登记号

• PubChem SID: 164262945
• PubChem CID: 1777841

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.8944993
• LogD (pH = 7.4): 4.8944993
• Log P: 4.8944993
• 摩尔折射率: 106.7884 cm^3
• 极化性: 41.753937 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds