[4-[[5-[6-[[3-[[6-Chloro-5-[5-[3-[3-[[5-[5-ethenyl-4-(2-methylbut-1-enyl)furan-2-yl]-6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)-2-methylcyclopentyl]prop-1-en-2-yl]-4-(2-methylbut-1-enyl)furan-2-yl]-2-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)-2-methylcyclopentyl]methyl]-5-ethylfuro[2,3-c]pyridin-6-ium-2-yl]-6-methyl-2-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]amino]-2,3-dimethylcyclopentyl]methanol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃吡啶类
• 英文名称: [4-[[5-[6-[[3-[[6-Chloro-5-[5-[3-[3-[[5-[5-ethenyl-4-(2-methylbut-1-enyl)furan-2-yl]-6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)-2-methylcyclopentyl]prop-1-en-2-yl]-4-(2-methylbut-1-enyl)furan-2-yl]-2-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)-2-methylcyclopentyl]methyl]-5-ethylfuro[2,3-c]pyridin-6-ium-2-yl]-6-methyl-2-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]amino]-2,3-dimethylcyclopentyl]methanol
• 英文别名: [4-[[5-[6-[[3-[[6-chloro-5-[5-[3-[3-[[5-[5-ethenyl-4-(2-methylbut-1-enyl)furan-2-yl]-6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)-2-methylcyclopentyl]prop-1-en-2-yl]-4-(2-methylbut-1-enyl)furan-2-yl]-2-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)-2-methylcyclopentyl]methyl]-5-ethylfuro[2,3-c]pyridin-6-ium-2-yl]-6-methyl-2-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]amino]-2,3-dimethylcyclopentyl]methanol
• 化学式: C79H105ClF6N13O6+
• 分子量: 1482.2
• InChiKey: RIJQGRBDYNPTOA-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  20.7
• 重原子数：
  105
• 可旋转键数：
  32
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  254
• 氢给体数：
  9
• 氢受体数：
  24