21-(2-Benzylbutylidene)-28-hydroxy-2-(2-hydroxypropylamino)-6-[2-(methylamino)piperidin-4-yl]-10,22-dioxa-38,50-diazadodecacyclo[39.12.1.13,6.112,16.132,36.146,49.09,13.017,25.020,24.026,31.042,52.020,57]octapentaconta-1(54),8,12,24,26(31),27,29,32,34,36(56),41,52-dodecaen-43-yne-11,23-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 21-(2-Benzylbutylidene)-28-hydroxy-2-(2-hydroxypropylamino)-6-[2-(methylamino)piperidin-4-yl]-10,22-dioxa-38,50-diazadodecacyclo[39.12.1.13,6.112,16.132,36.146,49.09,13.017,25.020,24.026,31.042,52.020,57]octapentaconta-1(54),8,12,24,26(31),27,29,32,34,36(56),41,52-dodecaen-43-yne-11,23-dione
• 英文别名: 21-(2-benzylbutylidene)-28-hydroxy-2-(2-hydroxypropylamino)-6-[2-(methylamino)piperidin-4-yl]-10,22-dioxa-38,50-diazadodecacyclo[39.12.1.13,6.112,16.132,36.146,49.09,13.017,25.020,24.026,31.042,52.020,57]octapentaconta-1(54),8,12,24,26(31),27,29,32,34,36(56),41,52-dodecaen-43-yne-11,23-dione
• 化学式: C₇₄H₈₇N₅O₆
• 分子量: 1142.5
• InChiKey: NQKOBTCHXUQLQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.8
• 重原子数：
  85
• 可旋转键数：
  9
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  153
• 氢给体数：
  7
• 氢受体数：
  11