N-(4-chloro-benzoyl)-N'-(4-methoxy-phenyl)-thiourea | 108620-32-2

• 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: N-(4-chloro-benzoyl)-N'-(4-methoxy-phenyl)-thiourea
• 英文别名: N-(4-Chlor-benzoyl)-N'-(4-methoxy-phenyl)-thioharnstoff；Benzamide, 4-chloro-N-[[(4-methoxyphenyl)amino]thioxomethyl]-；4-chloro-N-[(4-methoxyphenyl)carbamothioyl]benzamide
• CAS: 108620-32-2
• 化学式: C₁₅H₁₃ClN₂O₂S
• mdl: MFCD00704888
• 分子量: 320.799
• InChiKey: QPIPXTGNTAJAFO-UHFFFAOYSA-N

物化性质

• 熔点：
  157-158 °C
• 密度：
  1.367±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  82.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氯苯甲酰氯 以 丙酮 为溶剂， 反应 0.75h， 生成 N-(4-chloro-benzoyl)-N'-(4-methoxy-phenyl)-thiourea
  参考文献：
  名称：

  Design, syntheses and evaluation of benzoylthioureas as urease inhibitors of agricultural interest

  摘要：

  尿素是全球使用最广泛的氮肥之一。

  DOI：

  10.1039/c5ra07886e

文献信息

• In vitro evaluation of antitrypanosomal activity and molecular docking of benzoylthioureas
  作者：Patricia M.L. Pereira、Priscila G. Camargo、Bruna T. Fernandes、Luiz A.P. Flores-Junior、Luiza R.S. Dias、Camilo H.S. Lima、Phileno Pinge-Filho、Lucy M.Y. Lioni、Sueli F. Yamada-Ogatta、Marcelle L.F. Bispo、Fernando Macedo Jr

  DOI：10.1016/j.parint.2020.102225

  日期：2021.2
• p-Chlorbenzoylisothiocyanat als Reagens zur Charakterisierung von primÄren und sekundÄren Aminen
  作者：M. Tišler

  DOI：10.1007/bf00459135

  日期：1959.7
• Pharmaceutical Compositions For and Methods of Inhibiting Hcv
  申请人：Huang Mingjun

  公开号：US20080207760A1

  公开（公告）日：2008-08-28

  The present invention relates generally to replicase complex defect inducers and pharmaceutical compositions containing such inducers. Methods of developing mutants that are resistant to replicase complex defect inducers are also provided. Further included are mutants that can be used in screening for replicase complex defect inducers. Methods of screening test compounds for the ability to induce the formation of replicase complex defects are also described. Also included are methods of inhibition of HCV replication by replicase complex defect inducers.
• Design, syntheses and evaluation of benzoylthioureas as urease inhibitors of agricultural interest
  作者：Tiago O. Brito、Aline X. Souza、Yane C. C. Mota、Vinicius S. S. Morais、Leandro T. de Souza、Ângelo de Fátima、Fernando Macedo、Luzia V. Modolo

  DOI：10.1039/c5ra07886e

  日期：——

  Urea is one of the most used nitrogen fertilizers worldwide.

  尿素是全球使用最广泛的氮肥之一。