2-(3-Chlorophenyl)-3-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]-3-[4-[5-methyl-4-[2-(trifluoromethyl)phenyl]triazol-1-yl]-1-bicyclo[2.2.2]octanyl]-2-[[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]butanediamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 2-(3-Chlorophenyl)-3-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]-3-[4-[5-methyl-4-[2-(trifluoromethyl)phenyl]triazol-1-yl]-1-bicyclo[2.2.2]octanyl]-2-[[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]butanediamide
• 英文别名: 2-(3-chlorophenyl)-3-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]-3-[4-[5-methyl-4-[2-(trifluoromethyl)phenyl]triazol-1-yl]-1-bicyclo[2.2.2]octanyl]-2-[[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]butanediamide
• 化学式: C₅₆H₅₃ClF₉N₉O₂
• 分子量: 1090.5
• InChiKey: YIVLODZFYWYTKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11
• 重原子数：
  77
• 可旋转键数：
  13
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  171
• 氢给体数：
  2
• 氢受体数：
  16