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CAS 1357147-44-4

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1,1-Dimethylethyl 4-(5-bromo-1,3,4-thiadiazol-2-yl)hexahydro-1H-1,4-diazepine-1-carboxylate

Description:
1,1-Dimethylethyl 4-(5-bromo-1,3,4-thiadiazol-2-yl)hexahydro-1H-1,4-diazepine-1-carboxylate is a chemical compound characterized by its complex structure, which includes a hexahydro-1H-1,4-diazepine ring and a thiadiazole moiety. The presence of the 5-bromo substituent on the thiadiazole enhances its reactivity and potential biological activity. This compound features a carboxylate functional group, which can influence its solubility and interaction with biological systems. The dimethyl group contributes to steric hindrance, potentially affecting the compound's conformation and reactivity. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of both nitrogen and sulfur atoms, which are often involved in biological interactions. The compound's properties, such as solubility, stability, and reactivity, would be influenced by its specific functional groups and overall molecular geometry. Further studies would be necessary to fully elucidate its chemical behavior and potential applications.
Formula:C12H19BrN4O2S
InChI:InChI=1S/C12H19BrN4O2S/c1-12(2,3)19-11(18)17-6-4-5-16(7-8-17)10-15-14-9(13)20-10/h4-8H2,1-3H3
InChI key:InChIKey=LQQIYEAWAGAREX-UHFFFAOYSA-N
SMILES:BrC=1SC(=NN1)N2CCN(C(OC(C)(C)C)=O)CCC2
Synonyms:
  • 1,1-Dimethylethyl 4-(5-bromo-1,3,4-thiadiazol-2-yl)hexahydro-1H-1,4-diazepine-1-carboxylate
  • 1H-1,4-Diazepine-1-carboxylic acid, 4-(5-bromo-1,3,4-thiadiazol-2-yl)hexahydro-, 1,1-dimethylethyl ester
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