1,2-di(propan-2-yl)-3-[4,22,31-tris[[N,N'-di(propan-2-yl)carbamimidoyl]amino]-9,18,27,36,37,42,45,46-octazaundecacyclo[17.17.6.238,41.110,17.128,35.02,7.08,37.011,16.020,25.026,42.029,34]hexatetraconta-1,3,5,7,9,11(16),12,14,18,20(25),21,23,26,28,30,32,34,38(44),39,41(43)-icosaen-13-yl]guanidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 1,2-di(propan-2-yl)-3-[4,22,31-tris[[N,N'-di(propan-2-yl)carbamimidoyl]amino]-9,18,27,36,37,42,45,46-octazaundecacyclo[17.17.6.238,41.110,17.128,35.02,7.08,37.011,16.020,25.026,42.029,34]hexatetraconta-1,3,5,7,9,11(16),12,14,18,20(25),21,23,26,28,30,32,34,38(44),39,41(43)-icosaen-13-yl]guanidine
• 化学式: C₆₆H₈₄N₂₀
• 分子量: 1157.5
• InChiKey: XNECGWYMSWNCNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  86
• 可旋转键数：
  20
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  231
• 氢给体数：
  11
• 氢受体数：
  8