N-[5-[4-[4-[4-[4-tert-butyl-2-(methanesulfinamido)-6-[[4-methyl-3-[[6-(1,4-oxazepan-6-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]benzoyl]amino]phenoxy]-2-methylbutan-2-yl]-2-[[4-methyl-3-[[6-[(1-methylpiperidin-4-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]benzoyl]amino]-6-(methylsulfanylamino)phenoxy]-2-methylbutan-2-yl]-2-methoxy-3-(methylsulfanylamino)phenyl]-3-[[6-[(1-ethylpiperidin-4-yl)methyl]pyrido[3,2-d]pyrimidin-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-[5-[4-[4-[4-[4-tert-butyl-2-(methanesulfinamido)-6-[[4-methyl-3-[[6-(1,4-oxazepan-6-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]benzoyl]amino]phenoxy]-2-methylbutan-2-yl]-2-[[4-methyl-3-[[6-[(1-methylpiperidin-4-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]benzoyl]amino]-6-(methylsulfanylamino)phenoxy]-2-methylbutan-2-yl]-2-methoxy-3-(methylsulfanylamino)phenyl]-3-[[6-[(1-ethylpiperidin-4-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-4-methylbenzamide
• 化学式: C₁₀₂H₁₂₅N₂₁O₈S₃
• 分子量: 1869.4
• InChiKey: KPDIWIDCBHDJAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.6
• 重原子数：
  134
• 可旋转键数：
  37
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  418
• 氢给体数：
  10
• 氢受体数：
  29