338976-48-0 ((6-chloroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime)

CAS号:
338976-48-0
英文名称:
6-chloroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime
分子式:
C13H8Cl3N3OS
分子量:
360.646118164063

6-chloroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime(338976-48-0)名称与标识符

名称

英文别名:
6-CHLOROIMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME;(E)-({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methylidene)[(3,4-dichlorophenyl)methoxy]amine;Imidazo[2,1-b]thiazole-5-carboxaldehyde, 6-chloro-, O-[(3,4-dichlorophenyl)methyl]oxime;(E)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(3,4-dichlorophenyl)methoxy]methanimine;HMS568K18;

标识符

InChIKey:
ODANSXRMENRCKR-UBKPWBPPSA-N
Inchi:
1S/C13H8Cl3N3OS/c14-9-2-1-8(5-10(9)15)7-20-17-6-11-12(16)18-13-19(11)3-4-21-13/h1-6H,7H2/b17-6+
SMILES:
ClC1=C(/C=N/OCC2C=CC(=C(C=2)Cl)Cl)N2C=CSC2=N1

6-chloroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime(338976-48-0)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 4
  • 重原子数量 : 21
  • 复杂度 : 390
  • 疏水参数计算参考值(XlogP) : 6
  • 拓扑分子极性表面积 : 67.1