2-(4-Methylperoxysulfanylphenyl)sulfonylacetate;2-(4-phenylperoxysulfanylphenyl)sulfonylacetate;2-[4-(1,2,3,4-tetrahydropyridin-6-yl)phenyl]-1,4,5,6-tetrahydropyrimidine;2-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydropyrimidine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-Methylperoxysulfanylphenyl)sulfonylacetate;2-(4-phenylperoxysulfanylphenyl)sulfonylacetate;2-[4-(1,2,3,4-tetrahydropyridin-6-yl)phenyl]-1,4,5,6-tetrahydropyrimidine;2-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydropyrimidine
• 英文别名: 2-(4-methylperoxysulfanylphenyl)sulfonylacetate;2-(4-phenylperoxysulfanylphenyl)sulfonylacetate;2-[4-(1,2,3,4-tetrahydropyridin-6-yl)phenyl]-1,4,5,6-tetrahydropyrimidine;2-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydropyrimidine
• 化学式: C52H57N7O12S4-2
• 分子量: 1100.3
• InChiKey: WNTANQNIWCQYAN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.34
• 重原子数：
  75
• 可旋转键数：
  15
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  338
• 氢给体数：
  4
• 氢受体数：
  18