6,6-Diethyl-3,9-dimethyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium;3,9-dimethyl-5,7-dihydrobenzo[d][2]benzothiepine;3,9-dimethyl-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide;3,9-dimethyl-5,7-dihydrobenzo[d][2]benzoxepine;3-[3,9-dimethyl-6-[3-(trimethylazaniumyl)propyl]-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl]propyl-trimethylazanium;trimethyl-[2-(3,6,9-trimethyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)ethyl]azanium

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噁庚英
• 英文名称: 6,6-Diethyl-3,9-dimethyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium;3,9-dimethyl-5,7-dihydrobenzo[d][2]benzothiepine;3,9-dimethyl-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide;3,9-dimethyl-5,7-dihydrobenzo[d][2]benzoxepine;3-[3,9-dimethyl-6-[3-(trimethylazaniumyl)propyl]-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl]propyl-trimethylazanium;trimethyl-[2-(3,6,9-trimethyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)ethyl]azanium
• 英文别名: 6,6-diethyl-3,9-dimethyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium;3,9-dimethyl-5,7-dihydrobenzo[d][2]benzothiepine;3,9-dimethyl-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide;3,9-dimethyl-5,7-dihydrobenzo[d][2]benzoxepine;3-[3,9-dimethyl-6-[3-(trimethylazaniumyl)propyl]-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl]propyl-trimethylazanium;trimethyl-[2-(3,6,9-trimethyl-5,7-dihydrobenzo[d][2]benzazepin-6-ium-6-yl)ethyl]azanium
• 化学式: C118H152N6O3S2+6
• 分子量: 1766.6
• InChiKey: ALOUNHDRLRWMQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.09
• 重原子数：
  129
• 可旋转键数：
  13
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  77
• 氢给体数：
  0
• 氢受体数：
  4