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

• ChemBase编号: 222189
• 分子式: C22H23N3O4
• 平均质量: 393.43572
• 单一同位素质量: 393.16885623
• SMILES: c12c(nn(c1c1c(C2)cc(c(c1)OC)OC)C)C(=O)NCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CNC(=O)c1nn(c2c1Cc1c2cc(c(c1)OC)OC)C
• InChI: InChI=1S/C22H23N3O4/c1-25-21-16-11-19(29-4)18(28-3)10-14(16)9-17(21)20(24-25)22(26)23-12-13-5-7-15(27-2)8-6-13/h5-8,10-11H,9,12H2,1-4H3,(H,23,26)
• InChIKey: CWXRGVLKXVFIMT-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164278099
• PubChem CID: 39377759

理论计算性质

• Acid pKa: 7.759852
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 2.7961252
• LogD (pH = 7.4): 2.6412206
• Log P: 2.7985065
• 摩尔折射率: 121.2596 cm^3
• 极化性: 42.695797 Å^3
• 极化表面积: 74.61 Å^2
• 可自由旋转的化学键: 6
• 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