9-[4-[2-[3-Methyl-5-[9-(4-methylphenyl)sulfonyl-5-oxo-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraen-4-yl]phenyl]ethyl]phenyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraen-5-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 9-[4-[2-[3-Methyl-5-[9-(4-methylphenyl)sulfonyl-5-oxo-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraen-4-yl]phenyl]ethyl]phenyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraen-5-one
• 英文别名: 9-[4-[2-[3-methyl-5-[9-(4-methylphenyl)sulfonyl-5-oxo-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraen-4-yl]phenyl]ethyl]phenyl]sulfonyl-4-[4-(trifluoromethyl)phenyl]-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraen-5-one
• 化学式: C₄₉H₄₁F₃N₈O₆S₂
• 分子量: 959.0
• InChiKey: OHUGSVDPSHTQLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  68
• 可旋转键数：
  9
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  182
• 氢给体数：
  2
• 氢受体数：
  15