[3-[[2-[[2-Amino-4-chloro-5-[[4-[(dimethylamino)methyl]triazol-1-yl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,5-dimethylpyridin-4-yl]oxymethyl]-1-[[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methyl]triazol-1-ium-4-yl]methanol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: [3-[[2-[[2-Amino-4-chloro-5-[[4-[(dimethylamino)methyl]triazol-1-yl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,5-dimethylpyridin-4-yl]oxymethyl]-1-[[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methyl]triazol-1-ium-4-yl]methanol
• 英文别名: [3-[[2-[[2-amino-4-chloro-5-[[4-[(dimethylamino)methyl]triazol-1-yl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,5-dimethylpyridin-4-yl]oxymethyl]-1-[[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methyl]triazol-1-ium-4-yl]methanol
• 化学式: C40H50Cl2N17O3+
• 分子量: 887.8
• InChiKey: FYMFXXNVFJVBPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  62
• 可旋转键数：
  15
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  230
• 氢给体数：
  3
• 氢受体数：
  17