CAS 1020722-24-0

1-[5-Bromo-2-methyl-4-(methylsulfonyl)phenyl]hexahydro-1H-1,4-diazepine

Description:

1-[5-Bromo-2-methyl-4-(methylsulfonyl)phenyl]hexahydro-1H-1,4-diazepine is a chemical compound characterized by its complex structure, which includes a hexahydro-1H-1,4-diazepine core fused with a substituted phenyl group. The presence of a bromine atom and a methylsulfonyl group on the phenyl ring contributes to its unique reactivity and potential biological activity. The compound is likely to exhibit properties typical of diazepines, such as potential anxiolytic or sedative effects, although specific biological activities would depend on further empirical studies. Its molecular structure suggests it may engage in various interactions, including hydrogen bonding and π-π stacking, due to the aromatic and aliphatic components. The compound's solubility, stability, and reactivity can be influenced by the substituents on the phenyl ring and the diazepine moiety. As with many organic compounds, safety and handling precautions are essential, particularly due to the presence of bromine, which can pose health risks. Further research would be necessary to fully elucidate its properties and potential applications in medicinal chemistry.

Formula: C₁₃H₁₉BrN₂O₂S

InChI: InChI=1S/C13H19BrN2O2S/c1-10-8-13(19(2,17)18)11(14)9-12(10)16-6-3-4-15-5-7-16/h8-9,15H,3-7H2,1-2H3

InChI key: InChIKey=IGYSNLMZXSZNPQ-UHFFFAOYSA-N

SMILES: CC1=C(C=C(Br)C(S(C)(=O)=O)=C1)N2CCCNCC2

Synonyms:

• 1H-1,4-Diazepine, 1-[5-bromo-2-methyl-4-(methylsulfonyl)phenyl]hexahydro-
• 1-[5-Bromo-2-methyl-4-(methylsulfonyl)phenyl]hexahydro-1H-1,4-diazepine