N,7-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 741802
• 分子式: C15H15N3OS
• 平均质量: 285.3641
• 单一同位素质量: 285.09358312
• SMILES: c1(nc2n(c1)ccc(c2)C)C(=O)N(Cc1cscc1)C
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)C(=O)N(Cc1cscc1)C
• InChI: InChI=1S/C15H15N3OS/c1-11-3-5-18-9-13(16-14(18)7-11)15(19)17(2)8-12-4-6-20-10-12/h3-7,9-10H,8H2,1-2H3
• InChIKey: IIWGFKKXGXFYMV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,7-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N,7-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• 别名: N,7-dimethyl-N-(3-thienylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.4569302
• LogD (pH = 7.4): 2.4616678
• Log P: 2.4617286
• 摩尔折射率: 81.1958 cm^3
• 极化性: 29.823957 Å^3
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.35
• LOG S: -3.62
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 3