6-chloro-N-methyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 776957
• 分子式: C14H12ClN3OS
• 平均质量: 305.78258
• 单一同位素质量: 305.0389607
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(=O)N(Cc1cscc1)C
• Canonical SMILES: Clc1ccc2n(c1)cc(n2)C(=O)N(Cc1cscc1)C
• InChI: InChI=1S/C14H12ClN3OS/c1-17(6-10-4-5-20-9-10)14(19)12-8-18-7-11(15)2-3-13(18)16-12/h2-5,7-9H,6H2,1H3
• InChIKey: FDZFFFUNQSDPJC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-chloro-N-methyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: 6-chloro-N-methyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• 别名: 6-chloro-N-methyl-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): 2.5481324
• LogD (pH = 7.4): 2.5522985
• Log P: 2.552352
• 摩尔折射率: 80.9594 cm^3
• 极化性: 29.977833 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: 2.57
• LOG S: -3.8
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 3