N-[(4-ethoxyphenyl)methyl]-2-methoxy-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide

• ChemBase编号: 633971
• 分子式: C18H24N2O4S
• 平均质量: 364.45916
• 单一同位素质量: 364.14567826
• SMILES: c1(C(=O)N(Cc2ccc(cc2)OCC)CCOC)c(nc(s1)OC)C
• Canonical SMILES: COCCN(C(=O)c1sc(nc1C)OC)Cc1ccc(cc1)OCC
• InChI: InChI=1S/C18H24N2O4S/c1-5-24-15-8-6-14(7-9-15)12-20(10-11-22-3)17(21)16-13(2)19-18(23-4)25-16/h6-9H,5,10-12H2,1-4H3
• InChIKey: ATUZVSIVBSXPDJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(4-ethoxyphenyl)methyl]-2-methoxy-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
• IUPAC传统名: N-[(4-ethoxyphenyl)methyl]-2-methoxy-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
• 别名: N-(4-ethoxybenzyl)-2-methoxy-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 2.5970535
• LogD (pH = 7.4): 2.5970538
• Log P: 2.5970538
• 摩尔折射率: 97.3182 cm^3
• 极化性: 37.300602 Å^3
• 极化表面积: 60.89 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 3.4
• LOG S: -4.76
• 极化表面积: 60.89 Å^2
• 可自由旋转的化学键: 9