(4-methylphenyl) N-[2-[6-tert-butyl-3-[3-(dodecylsulfonylamino)phenyl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]ethyl]-N-methylcarbamodithioate;phenyl N-[5-hydroxy-6-[(4-methoxyphenyl)carbamoyl]naphthalen-1-yl]-N-methylcarbamate;(1-phenyltetrazol-5-yl) N-butyl-N-[5-hydroxy-6-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]carbamate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (4-methylphenyl) N-[2-[6-tert-butyl-3-[3-(dodecylsulfonylamino)phenyl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]ethyl]-N-methylcarbamodithioate;phenyl N-[5-hydroxy-6-[(4-methoxyphenyl)carbamoyl]naphthalen-1-yl]-N-methylcarbamate;(1-phenyltetrazol-5-yl) N-butyl-N-[5-hydroxy-6-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]carbamate
• 化学式: C93H104N14O11S3
• 分子量: 1690.1
• InChiKey: KWZVWMYTXGCXID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.87
• 重原子数：
  121
• 可旋转键数：
  35
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  372
• 氢给体数：
  6
• 氢受体数：
  19