4-[(3R)-3-methyl-4-({5-[2,2,2-trifluoro-1-hydroxy-1-(4H-1,2,4-triazol-3-yl)ethyl]-2-thienyl}sulfonyl)piperazin-1-yl]-3-(trifluoromethyl)benzonitrile | 1257229-60-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-[(3R)-3-methyl-4-({5-[2,2,2-trifluoro-1-hydroxy-1-(4H-1,2,4-triazol-3-yl)ethyl]-2-thienyl}sulfonyl)piperazin-1-yl]-3-(trifluoromethyl)benzonitrile
• 英文别名: 4-[(3R)-3-methyl-4-[5-[2,2,2-trifluoro-1-hydroxy-1-(1H-1,2,4-triazol-5-yl)ethyl]thiophen-2-yl]sulfonylpiperazin-1-yl]-3-(trifluoromethyl)benzonitrile
• CAS: 1257229-60-9
• 化学式: C₂₁H₁₈F₆N₆O₃S₂
• 分子量: 580.535
• InChiKey: RHXSSCMQEGRVSF-ISGGMURCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  163
• 氢给体数：
  2
• 氢受体数：
  15

文献信息

• [EN] 11-BETA HSD1 INHIBITORS<br/>[FR] INHIBITEURS DE 11-BÊTA HSD1
  申请人：WYETH LLC

  公开号：WO2010141550A2

  公开（公告）日：2010-12-09

  This invention features a chemical entity E, which is a compound of Formula I, or a salt (e.g., a pharmaceutically acceptable salt), or an N-oxide thereof (e.g., a compound of Formula I, or a pharmaceutically acceptable salt thereof). Formula I is provided below: formula (I) R1, R2, R3, R4, R5, R6, R7, R8, R9, and A can be as defined anywhere herein.