N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[1-[[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-[[6-(4-methylpiperazin-1-yl)-1-[[2-[[6-(4-methylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]amino]-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methyl]pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]-4-methylbenzamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[1-[[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-[[6-(4-methylpiperazin-1-yl)-1-[[2-[[6-(4-methylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]amino]-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]methyl]pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]-4-methylbenzamide
• 化学式: C79H74ClF9N24O4+2
• 分子量: 1630.0
• InChiKey: GYOJSYNKSWCYSJ-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  11.9
• 重原子数：
  117
• 可旋转键数：
  20
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  289
• 氢给体数：
  6
• 氢受体数：
  32