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CAS 849035-89-8

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Hexahydro-1-[4-(methylsulfonyl)-2-nitrophenyl]-1H-1,4-diazepine

Description:
Hexahydro-1-[4-(methylsulfonyl)-2-nitrophenyl]-1H-1,4-diazepine is a chemical compound characterized by its complex structure, which includes a diazepine ring fused with a nitrophenyl group and a methylsulfonyl substituent. The presence of the diazepine moiety suggests potential biological activity, as compounds in this class are often associated with pharmacological properties, including anxiolytic and anticonvulsant effects. The methylsulfonyl group may enhance solubility and influence the compound's reactivity and interaction with biological targets. The nitro group can also play a role in the compound's electronic properties, potentially affecting its reactivity and biological activity. This compound is likely to be a solid at room temperature, with specific melting and boiling points dependent on its purity and crystalline form. Its synthesis and characterization would typically involve standard organic chemistry techniques, including chromatography and spectroscopy for confirmation of structure. As with many chemical substances, safety data sheets should be consulted for handling and toxicity information.
Formula:C12H17N3O4S
InChI:InChI=1S/C12H17N3O4S/c1-20(18,19)10-3-4-11(12(9-10)15(16)17)14-7-2-5-13-6-8-14/h3-4,9,13H,2,5-8H2,1H3
InChI key:InChIKey=IYWJJBSLJUDUFN-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(C=CC(S(C)(=O)=O)=C1)N2CCCNCC2
Synonyms:
  • Hexahydro-1-[4-(methylsulfonyl)-2-nitrophenyl]-1H-1,4-diazepine
  • 1H-1,4-Diazepine, hexahydro-1-[4-(methylsulfonyl)-2-nitrophenyl]-
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