6,7-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-1-methyl-1H,4H-indeno[1,2-c]pyrazole-3-carboxamide

• ChemBase编号: 222006
• 分子式: C23H25N3O4
• 平均质量: 407.4623
• 单一同位素质量: 407.1845063
• SMILES: c12c(nn(c1c1c(C2)cc(c(c1)OC)OC)C)C(=O)NCCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCNC(=O)c1nn(c2c1Cc1c2cc(c(c1)OC)OC)C
• InChI: InChI=1S/C23H25N3O4/c1-26-22-17-13-20(30-4)19(29-3)12-15(17)11-18(22)21(25-26)23(27)24-10-9-14-5-7-16(28-2)8-6-14/h5-8,12-13H,9-11H2,1-4H3,(H,24,27)
• InChIKey: QPADHUXFHDPGSA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6,7-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-1-methyl-1H,4H-indeno[1,2-c]pyrazole-3-carboxamide
• IUPAC传统名: 6,7-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-1-methyl-4H-indeno[1,2-c]pyrazole-3-carboxamide

登记号

• PubChem SID: 164277916
• PubChem CID: 39377530

理论计算性质

• Acid pKa: 7.7601132
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 3.0847878
• LogD (pH = 7.4): 2.9299612
• Log P: 3.0871677
• 摩尔折射率: 126.0146 cm^3
• 极化性: 44.53907 Å^3
• 极化表面积: 74.61 Å^2
• 可自由旋转的化学键: 7
• 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