Ethyl 5-[4-[28-(butylcarbamoyl)-48,49,63,64-tetramethoxy-8,14,25,31,38,44,53,59-octaoxo-1,4,7,15,18,21,24,32,37,45,52,60-dodecazaheptacyclo[19.13.13.134,18.19,13.126,30.139,43.154,58]tetrahexaconta-9,11,13(63),26(49),27,29,39,41,43(48),54(64),55,57-dodecaen-2-yl]butylamino]-5-oxopentanoate;tribromoborane

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Ethyl 5-[4-[28-(butylcarbamoyl)-48,49,63,64-tetramethoxy-8,14,25,31,38,44,53,59-octaoxo-1,4,7,15,18,21,24,32,37,45,52,60-dodecazaheptacyclo[19.13.13.134,18.19,13.126,30.139,43.154,58]tetrahexaconta-9,11,13(63),26(49),27,29,39,41,43(48),54(64),55,57-dodecaen-2-yl]butylamino]-5-oxopentanoate;tribromoborane
• 英文别名: ethyl 5-[4-[28-(butylcarbamoyl)-48,49,63,64-tetramethoxy-8,14,25,31,38,44,53,59-octaoxo-1,4,7,15,18,21,24,32,37,45,52,60-dodecazaheptacyclo[19.13.13.134,18.19,13.126,30.139,43.154,58]tetrahexaconta-9,11,13(63),26(49),27,29,39,41,43(48),54(64),55,57-dodecaen-2-yl]butylamino]-5-oxopentanoate;tribromoborane
• 化学式: C72H100BBr3N14O16
• 分子量: 1668.2
• InChiKey: OIZFYSVQJIJMIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.98
• 重原子数：
  106
• 可旋转键数：
  19
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  367
• 氢给体数：
  10
• 氢受体数：
  20