144060-40-2 (3-Descyano 3-Bromo-febuxostat,3-Descyano 3-Bromo-febuxostat)

CAS号:
144060-40-2
中文名称:
3-Descyano 3-Bromo-febuxostat
英文名称:
3-Descyano 3-Bromo-febuxostat
分子式:
C15H16BrNO3S
分子量:
370.261442184448

3-Descyano 3-Bromo-febuxostat(144060-40-2)名称与标识符

名称

中文别名:
3-Descyano 3-Bromo-febuxostat;
英文别名:
3-Descyano 3-Bromo-febuxostat;2-(3-Bromo-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid;FNAALAOUSRFRCP-UHFFFAOYSA-N;Bromo febuxostat impurity;2-(3-bromo-4-isobutyloxyphenyl)-4-methyl-5-thiazolecarboxylic acid;3-Descyano 3-Bromo-febuxostat; 2-[3-Bromo-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic Acid; 2-(3-Bromo-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic Acid;2-[3-Bromo-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid;

标识符

InChIKey:
FNAALAOUSRFRCP-UHFFFAOYSA-N
Inchi:
1S/C15H16BrNO3S/c1-8(2)7-20-12-5-4-10(6-11(12)16)14-17-9(3)13(21-14)15(18)19/h4-6,8H,7H2,1-3H3,(H,18,19)
SMILES:
BrC1C=C(C=CC=1OCC(C)C)C1=NC(C)=C(C(=O)O)S1

3-Descyano 3-Bromo-febuxostat(144060-40-2)物化性质

计算特性

  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 5
  • 重原子数量 : 21
  • 复杂度 : 369
  • 拓扑分子极性表面积 : 87.7

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3-Descyano 3-Bromo-febuxostat(144060-40-2)参考资料

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