N-[2-(2-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 388967
• 分子式: C20H22FN3O3
• 平均质量: 371.4053832
• 单一同位素质量: 371.1645198
• SMILES: c1(nc2n(c1)cccc2C)C(=O)N(CCOc1c(F)cccc1)CCOC
• Canonical SMILES: COCCN(C(=O)c1cn2c(n1)c(C)ccc2)CCOc1ccccc1F
• InChI: InChI=1S/C20H22FN3O3/c1-15-6-5-9-24-14-17(22-19(15)24)20(25)23(10-12-26-2)11-13-27-18-8-4-3-7-16(18)21/h3-9,14H,10-13H2,1-2H3
• InChIKey: LFTWBLHIOVFPSL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(2-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-[2-(2-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-[2-(2-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.6885815
• LogD (pH = 7.4): 2.696488
• Log P: 2.6965897
• 摩尔折射率: 101.2895 cm^3
• 极化性: 37.759163 Å^3
• 极化表面积: 56.07 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.37
• LOG S: -3.93
• 极化表面积: 56.07 Å^2
• 可自由旋转的化学键: 8