5-[5-[5-[4-[2-[3-[amino-[2-amino-2-[5-[[3-(4-methylpiperazin-1-yl)cyclobutyl]amino]pyridin-3-yl]ethenyl]amino]-5-[(3-hydroxy-4,4-dimethylpent-2-enimidoyl)carbamoyl]-2-methylpyridin-1-ium-1-yl]-2-propan-2-yloxyethyl]piperazin-1-yl]pyridin-3-yl]-1,2-dihydrotriazol-3-yl]-1-[1-fluoro-2-[4-[5-[3-[5-[(3-hydroxy-4,4-dimethylpent-2-enimidoyl)carbamoyl]-2-methylpyridin-3-yl]-1,2-dihydrotriazol-5-yl]pyridin-3-yl]piperazin-1-yl]ethyl]-N-(3-hydroxy-4,4-dimethylpent-2-enimidoyl)-6-methylpyridin-1-ium-3-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 5-[5-[5-[4-[2-[3-[amino-[2-amino-2-[5-[[3-(4-methylpiperazin-1-yl)cyclobutyl]amino]pyridin-3-yl]ethenyl]amino]-5-[(3-hydroxy-4,4-dimethylpent-2-enimidoyl)carbamoyl]-2-methylpyridin-1-ium-1-yl]-2-propan-2-yloxyethyl]piperazin-1-yl]pyridin-3-yl]-1,2-dihydrotriazol-3-yl]-1-[1-fluoro-2-[4-[5-[3-[5-[(3-hydroxy-4,4-dimethylpent-2-enimidoyl)carbamoyl]-2-methylpyridin-3-yl]-1,2-dihydrotriazol-5-yl]pyridin-3-yl]piperazin-1-yl]ethyl]-N-(3-hydroxy-4,4-dimethylpent-2-enimidoyl)-6-methylpyridin-1-ium-3-carboxamide
• 化学式: C87H121FN28O7+2
• 分子量: 1690.1
• InChiKey: KETIJMMHZLRGLN-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  123
• 可旋转键数：
  32
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  429
• 氢给体数：
  16
• 氢受体数：
  31