2-[3-[7-Amino-5-[1-[[3-[7-amino-6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)oxypyrazolo[1,5-a]pyrimidin-3-yl]quinolin-1-ium-1-yl]methylsulfonyl]piperidin-4-yl]oxy-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]quinolin-1-ium-1-yl]-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxypiperidin-1-yl]ethanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-[3-[7-Amino-5-[1-[[3-[7-amino-6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)oxypyrazolo[1,5-a]pyrimidin-3-yl]quinolin-1-ium-1-yl]methylsulfonyl]piperidin-4-yl]oxy-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]quinolin-1-ium-1-yl]-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxypiperidin-1-yl]ethanone
• 英文别名: 2-[3-[7-amino-5-[1-[[3-[7-amino-6-bromo-5-(1-cyclopropylsulfonylpiperidin-4-yl)oxypyrazolo[1,5-a]pyrimidin-3-yl]quinolin-1-ium-1-yl]methylsulfonyl]piperidin-4-yl]oxy-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]quinolin-1-ium-1-yl]-1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxypiperidin-1-yl]ethanone
• 化学式: C66H63Br3N18O8S2+2
• 分子量: 1540.2
• InChiKey: JKVICMWXFIARAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  97
• 可旋转键数：
  16
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  329
• 氢给体数：
  3
• 氢受体数：
  20