4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-chloro-6-(trifluoromethyl)phenyl]-2-fluorobenzoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-chloro-6-(trifluoromethyl)phenyl]-2-fluorobenzoic acid
• 化学式: C₁₆H₁₀ClF₄N₅O₂
• 分子量: 415.73
• InChiKey: IPBKSQILLROFIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  117
• 氢给体数：
  4
• 氢受体数：
  10

文献信息

• [EN] ANTIVIRAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIVIRAUX
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014135495A1

  公开（公告）日：2014-09-12

  The present invention discloses compounds of Formula I: wherein the variables in Formula I are defined as described herein. Also disclosed are pharmaceutical compositions containing such compounds and methods for using the compounds of Formula I in the prevention or treatment of HCV infection.

  本发明公开了化合物的结构式I：其中结构式I中的变量如本文所述。还公开了含有这些化合物的药物组合物，以及使用结构式I中的化合物预防或治疗HCV感染的方法。
• ANTIVIRAL COMPOUNDS
  申请人：HOFFMANN-LA ROCHE INC.

  公开号：US20160000760A1

  公开（公告）日：2016-01-07

  The present invention discloses compounds of Formula I: wherein the variables in Formula I are defined as described herein. Also disclosed are pharmaceutical compositions containing such compounds and methods for using the compounds of Formula I in the prevention or treatment of HCV infection.

  本发明公开了I式化合物：其中I式中的变量如本文所述。还公开了包含这种化合物的药物组合物，以及使用I式化合物在预防或治疗HCV感染方面的方法。
• USE OF QUINOLINE DERIVATIVES FOR IMPROVING PLANT YIELD
  申请人：Bayer CropScience AG

  公开号：EP2964027A1

  公开（公告）日：2016-01-13
• US9693997B2
  申请人：——

  公开号：US9693997B2

  公开（公告）日：2017-07-04
• [EN] USE OF QUINOLINE DERIVATIVES FOR IMPROVING PLANT YIELD<br/>[FR] UTILISATION DE DÉRIVÉS DE QUINOLÉINE POUR AMÉLIORER LE RENDEMENT AGRICOLE
  申请人：BAYER CROPSCIENCE AG

  公开号：WO2014135481A1

  公开（公告）日：2014-09-12

  Compounds (A) can be used for increasing the yield of useful plants or crop plants with respect to their harvested plant organs, wherein the Compound (A) is selected from compounds of the formula (I) and hydrates or salts thereof, in which RB1 is halogen, (C1-C4)-alkyl, (C1-C4)-alkoxy, nitro or (C1-C4)-haloalkyl; nB is a natural number from 0 to 5, preferably 0 to 3; RB2 is ORB3, SRB3 or NRB3RB4 or a saturated or unsaturated 3- to 7-membered heterocycle having at least one nitrogen atom and up to 3 heteroatoms, preferably from the group consisting of O and S, which 1 is attached via the nitrogen atom to the carbonyl group in (S2) and which is unsubstituted or substituted by radicals from the group consisting of (C1-C4)- alkyl, (C1-C4)-alkoxy and optionally substituted phenyl, preferably a radical of the formula ORB3, NHRB4 or N(CH3)2, in particular of the formula ORB3; RB3 is hydrogen or an unsubstituted or substituted aliphatic hydrocarbyl radical, preferably having a total of 1 to 18 carbon atoms; RB4 is hydrogen, (C1-C6)-alkyl, (C1-C6)-alkoxy or substituted or unsubstituted phenyl; TB is a (C1- or C2)-alkanediyl chain which is unsubstituted or substituted by one or two (C1-C4)-alkyl radicals or by [(C1-C3)-alkoxy]carbonyl;preferably 1-methylhexyl (5-chloro-8-quinolinoxy)acetate ("cloquintocet-mexyl").