N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase编号: 751162
• 分子式: C17H19N3O3S
• 平均质量: 345.41606
• 单一同位素质量: 345.11471248
• SMILES: c1(nc2n(c1)ccs2)C(=O)N(CCOc1ccc(cc1)OC)CC
• Canonical SMILES: CCN(C(=O)c1cn2c(n1)scc2)CCOc1ccc(cc1)OC
• InChI: InChI=1S/C17H19N3O3S/c1-3-19(8-10-23-14-6-4-13(22-2)5-7-14)16(21)15-12-20-9-11-24-17(20)18-15/h4-7,9,11-12H,3,8,10H2,1-2H3
• InChIKey: PATXTBRXNLLZLS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC传统名: N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• 别名: N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.3202481
• LogD (pH = 7.4): 2.3202794
• Log P: 2.3202798
• 摩尔折射率: 103.7762 cm^3
• 极化性: 35.01038 Å^3
• 极化表面积: 56.07 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.64
• LOG S: -3.98
• 极化表面积: 56.07 Å^2
• 可自由旋转的化学键: 7