N-methyl-2-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 456394
• 分子式: C20H18N4OS
• 平均质量: 362.44812
• 单一同位素质量: 362.12013222
• SMILES: c1(C(=O)N(C(c2scnc2)C)C)cn2c(nc(c2)c2ccccc2)cc1
• Canonical SMILES: CN(C(=O)c1ccc2n(c1)cc(n2)c1ccccc1)C(c1cncs1)C
• InChI: InChI=1S/C20H18N4OS/c1-14(18-10-21-13-26-18)23(2)20(25)16-8-9-19-22-17(12-24(19)11-16)15-6-4-3-5-7-15/h3-14H,1-2H3
• InChIKey: OFVSMIXHVRWMPD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-2-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: N-methyl-2-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
• 别名: N-methyl-2-phenyl-N-[1-(1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.835504
• LogD (pH = 7.4): 3.0199113
• Log P: 3.022898
• 摩尔折射率: 103.5963 cm^3
• 极化性: 39.96085 Å^3
• 极化表面积: 50.5 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.78
• LOG S: -3.36
• 极化表面积: 50.5 Å^2
• 可自由旋转的化学键: 4