Ethyl 3,8-dimethyl-1,1,5,5-tetraoxo-10-(2,3,4,5,6-pentamethylphenyl)-2,3,4,6,7,10-hexahydro-[1,5]dithiocino[3,2-b]pyridine-9-carboxylate;methyl 3,8-dimethyl-1,1,5,5-tetraoxo-10-(2,3,4,5,6-pentamethylphenyl)-2,3,4,6,7,10-hexahydro-[1,5]dithiocino[3,2-b]pyridine-9-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Ethyl 3,8-dimethyl-1,1,5,5-tetraoxo-10-(2,3,4,5,6-pentamethylphenyl)-2,3,4,6,7,10-hexahydro-[1,5]dithiocino[3,2-b]pyridine-9-carboxylate;methyl 3,8-dimethyl-1,1,5,5-tetraoxo-10-(2,3,4,5,6-pentamethylphenyl)-2,3,4,6,7,10-hexahydro-[1,5]dithiocino[3,2-b]pyridine-9-carboxylate
• 英文别名: ethyl 3,8-dimethyl-1,1,5,5-tetraoxo-10-(2,3,4,5,6-pentamethylphenyl)-2,3,4,6,7,10-hexahydro-[1,5]dithiocino[3,2-b]pyridine-9-carboxylate;methyl 3,8-dimethyl-1,1,5,5-tetraoxo-10-(2,3,4,5,6-pentamethylphenyl)-2,3,4,6,7,10-hexahydro-[1,5]dithiocino[3,2-b]pyridine-9-carboxylate
• 化学式: C49H68N2O12S4
• 分子量: 1005.3
• InChiKey: HZFIYJZPFYOMOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  67
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  247
• 氢给体数：
  2
• 氢受体数：
  14