8-Bromo-6-(4-tert-butylphenyl)sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine;6-(4-tert-butylphenyl)sulfonyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine;1-[3-[6-(4-tert-butylphenyl)sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl]pyrazol-1-yl]propan-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 8-Bromo-6-(4-tert-butylphenyl)sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine;6-(4-tert-butylphenyl)sulfonyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine;1-[3-[6-(4-tert-butylphenyl)sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl]pyrazol-1-yl]propan-2-one
• 英文别名: 8-bromo-6-(4-tert-butylphenyl)sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine;6-(4-tert-butylphenyl)sulfonyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine;1-[3-[6-(4-tert-butylphenyl)sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl]pyrazol-1-yl]propan-2-one
• 化学式: C81H82BBrF9N11O9S3
• 分子量: 1711.5
• InChiKey: XYQWVAOQOYHFTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.07
• 重原子数：
  115
• 可旋转键数：
  13
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  265
• 氢给体数：
  3
• 氢受体数：
  28