N-[2-(4-chlorophenoxy)ethyl]-N-ethyl-2-methylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 348768
• 分子式: C19H20ClN3O2
• 平均质量: 357.834
• 单一同位素质量: 357.12440458
• SMILES: c1(cn2c(nc(c2)C)cc1)C(=O)N(CCOc1ccc(Cl)cc1)CC
• Canonical SMILES: CCN(C(=O)c1ccc2n(c1)cc(n2)C)CCOc1ccc(cc1)Cl
• InChI: InChI=1S/C19H20ClN3O2/c1-3-22(10-11-25-17-7-5-16(20)6-8-17)19(24)15-4-9-18-21-14(2)12-23(18)13-15/h4-9,12-13H,3,10-11H2,1-2H3
• InChIKey: RQWRARHGOUMJQE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(4-chlorophenoxy)ethyl]-N-ethyl-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: N-[2-(4-chlorophenoxy)ethyl]-N-ethyl-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• 别名: N-[2-(4-chlorophenoxy)ethyl]-N-ethyl-2-methylimidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

JChem

• 极化性: 37.39157 Å^3
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.1435757
• LogD (pH = 7.4): 2.7731953
• Log P: 2.7938142
• 摩尔折射率: 99.5053 cm^3

Provided by Chembridge

• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 6
• 质子受体: 3
• 质子供体: 0
• Log P: 3.21
• LOG S: -4.55