heptaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69-nonahexacontaene;3-methyl-1-[(4E)-4-[(1-methylimidazol-4-yl)methylidene]-2,3-dihydrochromen-6-yl]-1-(2,2,2-trifluoroethyl)urea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: heptaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69-nonahexacontaene;3-methyl-1-[(4E)-4-[(1-methylimidazol-4-yl)methylidene]-2,3-dihydrochromen-6-yl]-1-(2,2,2-trifluoroethyl)urea
• 化学式: C88H23F3N4O2
• 分子量: 1225.1
• InChiKey: VGDANKBTNCMTII-FLDSLJMSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.8
• 重原子数：
  97
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  6