N-(2-methoxyethyl)-2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

• ChemBase编号: 706709
• 分子式: C17H20N4O2S
• 平均质量: 344.4313
• 单一同位素质量: 344.1306969
• SMILES: c1(n2c(nc1C)ccc(c2)C)C(=O)N(Cc1nccs1)CCOC
• Canonical SMILES: COCCN(C(=O)c1c(C)nc2n1cc(C)cc2)Cc1nccs1
• InChI: InChI=1S/C17H20N4O2S/c1-12-4-5-14-19-13(2)16(21(14)10-12)17(22)20(7-8-23-3)11-15-18-6-9-24-15/h4-6,9-10H,7-8,11H2,1-3H3
• InChIKey: XNKJJSUBVIUPIT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
• IUPAC传统名: N-(2-methoxyethyl)-2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
• 别名: N-(2-methoxyethyl)-2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.912204
• LogD (pH = 7.4): 1.0300462
• Log P: 1.0317913
• 摩尔折射率: 94.5099 cm^3
• 极化性: 35.12138 Å^3
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.71
• LOG S: -3.17
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 6