bis(3-fluorophenylmethine)carbonohydrazide

• 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: bis(3-fluorophenylmethine)carbonohydrazide
• 英文别名: Carbonic dihydrazide, bis(3-fluorophenylmethylene)-；1,3-bis[(E)-(3-fluorophenyl)methylideneamino]urea
• 化学式: C₁₅H₁₂F₂N₄O
• 分子量: 302.283
• InChiKey: KXCWXZPCJJBTIE-VNIJRHKQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  65.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  碳酰肼 、 3-氟苯甲醛 以 乙醇 为溶剂， 生成 bis(3-fluorophenylmethine)carbonohydrazide
  参考文献：
  名称：

  Dimeric Hydrogen-Bonded Structure of Bis(3-fluorophenylmethine)carbonohydrazide

  摘要：

  The title carbazone, C15H12F2N4O (I), was found to be an intermolecularly hydrogen-bonded centrosymmetric dimer. [For a discussion of CAS/IUPAC nomenclature of carbazones see Grasselli and Weast (1989), In Handbook of Data on Organic Compounds, 2nd edition, Vol. I, Introduction, 190, 252, Florida: CRC Press.] This is in contrast to the only other reported X-ray structure of a related carbazone, which was a non-centrosymmetric infinite hydrogen-bonded polymeric structure, The monomer unit of compound (I) is neither planar nor symmetrical. One amidic H atom is anti to the carbonyl O atom while the other is syn, The syn amidic H atom and the carbonyl O atom form strong hydrogen bonds with the respective atoms of a second molecule to produce an eight-membered ring which links the two monomeric units. The intermolecular N-H ... O hydrogen-bond distances are 2.01 (2) Angstrom for H ... O and 2.873 (3) Angstrom for N ... O, and the N-H ... O angle is 172(2)degrees. The anti amidic H atom of compound (I) is not involved in hydrogen bonding.

  DOI：

  10.1107/s0108270194011492

文献信息

• COMPOUNDS AND METHODS OF TREATING INFECTIONS
  申请人：Neoculi Pty Ltd

  公开号：EP2991968B1

  公开（公告）日：2021-11-10
• METHODS FOR TREATING PROTOZOAN INFECTIONS
  申请人：Neoculi Pty Ltd

  公开号：EP3188722A1

  公开（公告）日：2017-07-12
• [EN] METHODS FOR TREATING PROTOZOAN INFECTIONS<br/>[FR] MÉTHODES DE TRAITEMENT D'INFECTIONS À PROTOZOAIRES
  申请人：NEOCULI PTY LTD

  公开号：WO2016033635A1

  公开（公告）日：2016-03-10

  The invention provides compounds of Formula (I), and their use in methods for treating or preventing a protozoan infection in a subject using a compound of Formula (I). The invention also provides the use of a compound of Formula (I) in the manufacture of a medicament for the treatment of a protozoan infection in a subject. The invention further provides a medical device when used in a method of treating or preventing a protozoan infection in a subject and to a medical device comprising the composition of the invention.