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

• ChemBase编号: 207307
• 分子式: C24H21NO4
• 平均质量: 387.42784
• 单一同位素质量: 387.14705816
• SMILES: c12c(c3c(c(=O)o1)cccc3)cc1c(c2C)OCN(C1)Cc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1CN1COc2c(C1)cc1c(c2C)oc(=O)c2c1cccc2
• InChI: InChI=1S/C24H21NO4/c1-15-22-17(11-20-18-8-4-5-9-19(18)24(26)29-23(15)20)13-25(14-28-22)12-16-7-3-6-10-21(16)27-2/h3-11H,12-14H2,1-2H3
• InChIKey: MLIQOZRNJGDQIX-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164263217
• PubChem CID: 1779328

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.723572
• LogD (pH = 7.4): 4.727798
• Log P: 4.7278523
• 摩尔折射率: 110.9025 cm^3
• 极化性: 43.99161 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: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds