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CAS 646455-48-3

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1-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane

Description:
1-[2-Nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane is a chemical compound characterized by its unique structure, which includes a diazepane ring and a nitro-substituted phenyl group with a trifluoromethyl moiety. The presence of the nitro group typically imparts significant polarity and can influence the compound's reactivity, while the trifluoromethyl group enhances lipophilicity and can affect biological activity. This compound may exhibit interesting pharmacological properties due to its structural features, making it a subject of interest in medicinal chemistry. The diazepane ring contributes to the compound's cyclic nature, which can affect its conformational flexibility and interactions with biological targets. Additionally, the compound's molecular weight, solubility, and stability are influenced by the functional groups present. As with many nitrogen-containing heterocycles, it may participate in various chemical reactions, including nucleophilic substitutions and reductions. Overall, 1-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane represents a complex structure with potential applications in drug development and chemical synthesis.
Formula:C12H14F3N3O2
InChI:InChI=1/C12H14F3N3O2/c13-12(14,15)9-2-3-10(11(8-9)18(19)20)17-6-1-4-16-5-7-17/h2-3,8,16H,1,4-7H2
SMILES:C1CNCCN(C1)c1ccc(cc1N(=O)=O)C(F)(F)F
Synonyms:
  • 1H-1,4-diazepine, hexahydro-1-[2-nitro-4-(trifluoromethyl)phenyl]-
  • 1-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]-1,4-DIAZEPANE
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