N-[5-[2-aminoethynyl(octyl)amino]-2-[[4-cyano-2-(1,1-dioxothiolan-3-yl)-5-phenylpyrazol-3-yl]diazenyl]phenyl]acetamide;N-[2-[[5-tert-butyl-4-cyano-2-(2,4,6-trichlorophenyl)pyrazol-3-yl]diazenyl]-5-(dioctylamino)phenyl]acetamide;N-[4-[3-tert-butyl-4-methylsulfonyl-5-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]diazenyl]pyrazol-1-yl]-3,5-dichlorophenyl]-2-(4-methoxyphenoxy)propanamide;ethyl N-[2-[[5-tert-butyl-4-cyano-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]diazenyl]-5-(dioctylamino)-4-methylphenyl]carbamate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: N-[5-[2-aminoethynyl(octyl)amino]-2-[[4-cyano-2-(1,1-dioxothiolan-3-yl)-5-phenylpyrazol-3-yl]diazenyl]phenyl]acetamide;N-[2-[[5-tert-butyl-4-cyano-2-(2,4,6-trichlorophenyl)pyrazol-3-yl]diazenyl]-5-(dioctylamino)phenyl]acetamide;N-[4-[3-tert-butyl-4-methylsulfonyl-5-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]diazenyl]pyrazol-1-yl]-3,5-dichlorophenyl]-2-(4-methoxyphenoxy)propanamide;ethyl N-[2-[[5-tert-butyl-4-cyano-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]diazenyl]-5-(dioctylamino)-4-methylphenyl]carbamate
• 化学式: C143H188Cl5F3N28O14S3
• 分子量: 2853.7
• InChiKey: DUBPSFKVRBPXFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  37.9
• 重原子数：
  196
• 可旋转键数：
  67
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  561
• 氢给体数：
  5
• 氢受体数：
  37