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

• ChemBase编号: 222025
• 分子式: C22H23N3O3
• 平均质量: 377.43632
• 单一同位素质量: 377.17394161
• SMILES: c12c(nn(c1c1c(C2)cc(c(c1)OC)OC)C)C(=O)NCCc1ccccc1
• Canonical SMILES: COc1cc2c(cc1OC)Cc1c2n(C)nc1C(=O)NCCc1ccccc1
• InChI: InChI=1S/C22H23N3O3/c1-25-21-16-13-19(28-3)18(27-2)12-15(16)11-17(21)20(24-25)22(26)23-10-9-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,23,26)
• InChIKey: GCVXSLUFBAWUHS-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164277935
• PubChem CID: 39377563

理论计算性质

• 可自由旋转的化学键: 6
• 里宾斯基五规则: true
• Acid pKa: 7.7601132
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 3.242459
• LogD (pH = 7.4): 3.0876324
• Log P: 3.244839
• 摩尔折射率: 119.5514 cm^3
• 极化性: 42.02481 Å^3
• 极化表面积: 65.38 Å^2

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds