1-[4-[(1-Methylimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-3-[6-(4-phenylbutoxy)hexyl]urea;tetratetraconta-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-tritetracontaene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 1-[4-[(1-Methylimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-3-[6-(4-phenylbutoxy)hexyl]urea;tetratetraconta-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-tritetracontaene
• 英文别名: 1-[4-[(1-methylimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-3-[6-(4-phenylbutoxy)hexyl]urea;tetratetraconta-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-tritetracontaene
• 化学式: C74H45N5O3
• 分子量: 1052.2
• InChiKey: CAHBMRAFSULNRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.86
• 重原子数：
  82
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  5