1-(1-(4-chlorophenyl)cyclopropyl)-2-(4-methyl-4H-1,2,4-triazol-3-ylthio)ethanone | 1185752-93-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-(1-(4-chlorophenyl)cyclopropyl)-2-(4-methyl-4H-1,2,4-triazol-3-ylthio)ethanone
• 英文别名: 1-[1-(4-chlorophenyl)cyclopropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
• CAS: 1185752-93-5
• 化学式: C₁₄H₁₄ClN₃OS
• 分子量: 307.804
• InChiKey: DPXIBYXXFQEHTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  73.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-bromo-1-[1-(4-chloro-phenyl)-cyclopropyl]-ethanone 、 4-甲基-4H-3-巯基-1,2,4-三氮唑 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 0.25h， 以28%的产率得到1-(1-(4-chlorophenyl)cyclopropyl)-2-(4-methyl-4H-1,2,4-triazol-3-ylthio)ethanone
  参考文献：
  名称：

  [EN] 1 IBETA- HYDROXYSTEROID DEHYDROGENASE INHIBITORS
  [FR] COMPOSÉ

  摘要：

  公开号：

  WO2009106817A3

文献信息

• COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE
  申请人：Vicker Nigel

  公开号：US20110112151A1

  公开（公告）日：2011-05-12

  There is provided a compound of formula R 1 —CO—X—Y—Z—R 2 wherein X and Z are each optional groups that are, independently, saturated or unsaturated carbon chains having a length of 1 to 3 carbons; Y is SO, S, SO 2 , CH═CH, CH 2 CH 2 or O; R 1 is wherein denotes the point of attachment; R 2 is a heteroaryl group comprising an optionally substituted 5 or 6 membered ring, which ring contains only carbon and at least one nitrogen, or contains only carbon, and at least two nitrogens and at least one sulfur; and wherein (i) when R 1 is and —CO—X—Y—Z— is CO—CH 2 —SO, CO—CH 2 —S, or CO—CH 2 —SO 2 , R 2 is other than and; (ii) when R 1 is and —CO—X—Y—Z— is —CO—CH 2 —O—, R 2 is other than

  提供了一个化合物的公式R1—CO—X—Y—Z—R2，其中X和Z是可选的基团，它们分别是具有1至3个碳原子的饱和或不饱和碳链；Y是SO、S、SO2、CH═CH、CH2CH2或O；R1是其中的连接点；R2是一个杂环基团，包括一个可选取代的5或6元环，该环仅包含碳和至少一个氮，或仅包含碳、至少两个氮和至少一个硫；其中(i)当R1是且—CO—X—Y—Z—为CO—CH2—SO、CO—CH2—S或CO—CH2—SO2时，R2不是和；(ii)当R1是且—CO—X—Y—Z—为—CO—CH2—O—时，R2不是。
• [EN] COMPOUND<br/>[FR] COMPOSÉ
  申请人：STERIX LTD

  公开号：WO2009106817A2

  公开（公告）日：2009-09-03

  There is provided a compound of formula R1-CO-X-Y-Z-R2 wherein X and Z are each optional groups independently selected from saturated or unsaturated carbon chains having a length of 1 to 3 carbons; Y is SO, S, SO2, CH=CH, CH2CH2 or O; R1 is selected from the following groups (A) wherein - - - denotes the point of attachment; R2 is a heteroaryl group comprising an optionally substituted 5 or 6 membered ring, which ring contains only carbon and at least one nitrogen, or contains only carbon, and at least two nitrogens and at least one sulphur; and wherein (i) when R1 is group (B) and -CO-X-Y-Z- is CO-CH2-SO, CO-CH2-S, or CO-CH2-SO2, R2 is other than group (C) and; (ii) when R1 is group (D) and -CO-X-Y-Z- is -CO-CH2-O-, R2 is other than group (E).
• [EN] 1 IBETA- HYDROXYSTEROID DEHYDROGENASE INHIBITORS<br/>[FR] COMPOSÉ
  申请人：STERIX LTD

  公开号：WO2009106817A3

  公开（公告）日：2009-12-03