N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase编号: 628929
• 分子式: C21H24FN3O2
• 平均质量: 369.4325632
• 单一同位素质量: 369.18525524
• SMILES: c12n(c(CC(=O)N(Cc3ccc(F)cc3)CCCOC)cn1)cccc2C
• Canonical SMILES: COCCCN(C(=O)Cc1cnc2n1cccc2C)Cc1ccc(cc1)F
• InChI: InChI=1S/C21H24FN3O2/c1-16-5-3-11-25-19(14-23-21(16)25)13-20(26)24(10-4-12-27-2)15-17-6-8-18(22)9-7-17/h3,5-9,11,14H,4,10,12-13,15H2,1-2H3
• InChIKey: UNQAMJKBHCRVDH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC传统名: N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• 别名: N-(4-fluorobenzyl)-N-(3-methoxypropyl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

理论计算性质

JChem

• LogD (pH = 7.4): 2.2999928
• Log P: 2.351289
• 摩尔折射率: 104.5162 cm^3
• 极化性: 39.090755 Å^3
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.5570166

Provided by Chembridge

• Log P: 2.64
• LOG S: -4.15
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 8
• 质子受体: 3
• 质子供体: 0