N-(3-phenylpropenoyl)-N'-(2-trifluoromethylphenyl)thiourea | 115983-10-3

• 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-(3-phenylpropenoyl)-N'-(2-trifluoromethylphenyl)thiourea
• 英文别名: (2E)-3-phenyl-N-{[2-(trifluoromethyl)phenyl]carbamothioyl}prop-2-enamide；(E)-3-phenyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]prop-2-enamide
• CAS: 115983-10-3
• 化学式: C₁₇H₁₃F₃N₂OS
• 分子量: 350.364
• InChiKey: QHAMCYAPZKUHKS-ZHACJKMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  73.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(3-phenylpropenoyl)-N'-(2-trifluoromethylphenyl)thiourea 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 1,2,5,6-tetrahydro-6-phenyl-2-thioxo-1-(2-trifluoromethylphenyl)-4(3H)-pyrimidinone
  参考文献：
  名称：

  Elghandour, Ahmed Hafez Hussien; Ramiz, Mahmoud Mohamed Mahfouz; Ghozlan, Said Ahmed Soliman, Liebigs Annalen der Chemie, 1988, p. 983 - 988

  摘要：

  DOI：
• 作为产物：
  描述：

  cinnamoyl isothiocyanate 、 邻氨基三氟甲苯 以 丙酮 为溶剂， 反应 2.0h， 以91%的产率得到N-(3-phenylpropenoyl)-N'-(2-trifluoromethylphenyl)thiourea
  参考文献：
  名称：

  Elghandour, Ahmed Hafez Hussien; Ramiz, Mahmoud Mohamed Mahfouz; Ghozlan, Said Ahmed Soliman, Liebigs Annalen der Chemie, 1988, p. 983 - 988

  摘要：

  DOI：

文献信息

• ELGHANDOUR, AHMED HAFEZ HUSSIEN;RAMIZ, MAHMOUD MOHAMED MAHFOUZ;GHOZLAN, S+, LIEBIGS ANN. CHEM.,(1988) N 10, C. 983-987
  作者：ELGHANDOUR, AHMED HAFEZ HUSSIEN、RAMIZ, MAHMOUD MOHAMED MAHFOUZ、GHOZLAN, S+

  DOI：——

  日期：——
• 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.
• Elghandour, Ahmed Hafez Hussien; Ramiz, Mahmoud Mohamed Mahfouz; Ghozlan, Said Ahmed Soliman, Liebigs Annalen der Chemie, 1988, p. 983 - 988
  作者：Elghandour, Ahmed Hafez Hussien、Ramiz, Mahmoud Mohamed Mahfouz、Ghozlan, Said Ahmed Soliman、Elmoghayar, Mohamed Riffat Hamza

  DOI：——

  日期：——