6-tert-butyl-7-chloro-3-[2,4,6-trimethyl-3-[[3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]phenyl]-5H-pyrazolo[5,1-c][1,2,4]triazole;6-methyl-3-[1-[5-[(5-methyl-2-octoxyphenoxy)sulfinylamino]-2-octoxyphenyl]propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole;6-methyl-3-[2,4,6-trimethyl-3-[[3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]phenyl]-5H-pyrazolo[5,1-c][1,2,4]triazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 6-tert-butyl-7-chloro-3-[2,4,6-trimethyl-3-[[3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]phenyl]-5H-pyrazolo[5,1-c][1,2,4]triazole;6-methyl-3-[1-[5-[(5-methyl-2-octoxyphenoxy)sulfinylamino]-2-octoxyphenyl]propan-2-yl]-5H-pyrazolo[5,1-c][1,2,4]triazole;6-methyl-3-[2,4,6-trimethyl-3-[[3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenoxy]sulfinylamino]phenyl]-5H-pyrazolo[5,1-c][1,2,4]triazole
• 化学式: C110H148ClN17O14S5
• 分子量: 2128.2
• InChiKey: OIAGUHOHMQQORE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  27.5
• 重原子数：
  147
• 可旋转键数：
  58
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  463
• 氢给体数：
  8
• 氢受体数：
  30