HCID11705804

5-[3-(4-Diethylamino-butyl)-ureido]-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazole-4-carboxylic Acid Amide

5-[4-(diethylamino)butylcarbamoylamino]-3-[(2,3,6-trifluoro-4-methylphenyl)methoxy]-1,2-thiazole-4-carboxamide

C21H28F3N5O3S487.5 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CCN(CC)CCCCNC(=O)Nc1snc(OCc2c(F)cc(C)c(F)c2F)c1C(N)=O
InChIKey: WREMRCJTCVCTHZ-UHFFFAOYSA-N
分子式: C21H28F3N5O3S
平均分子量: 487.5 g/mol
单同位素质量: 487.18649543

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 138 Å²
氢键供体: 3
氢键受体: 9
可旋转键: 12
重原子: 33
形式电荷: 0
复杂度: 634

ALIASES

名称与别名

共 4 条

SCHEMBL378622WREMRCJTCVCTHZ-UHFFFAOYSA-N5-[3-(4-Diethylamino-butyl)-ureido]-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazole-4-carboxylic Acid Amide5-[3-(4-Diethylamino-butyl)-ureido]-3-(2,3,6-trifluoro4-methyl-benzyloxy)-isothiazole-4-carboxylic acid amide

REACTIONS