CAS 1221724-21-5

Carbamic acid, N-[3-fluoro-4-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)phenyl]-, 2,2,2-trifluoroethyl ester, hydrochloride (1:1)

Description:

Carbamic acid, N-[3-fluoro-4-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)phenyl]-, 2,2,2-trifluoroethyl ester, hydrochloride (1:1) is a chemical compound characterized by its complex structure, which includes a carbamic acid moiety and a trifluoroethyl ester. The presence of a hexahydro-4-methyl-1H-1,4-diazepin moiety suggests potential biological activity, possibly influencing its pharmacological properties. The incorporation of fluorine atoms, specifically in the 3-fluoro and 2,2,2-trifluoroethyl groups, may enhance lipophilicity and metabolic stability, which are important factors in drug design. As a hydrochloride salt, it is likely to exhibit improved solubility in aqueous environments, facilitating its use in pharmaceutical formulations. The compound's molecular interactions, stability, and reactivity can be influenced by the presence of functional groups and the overall stereochemistry. While specific applications or biological activities may not be detailed, compounds of this nature are often investigated for their potential therapeutic effects in various medical fields.

Formula: C₁₅H₁₉F₄N₃O₂·ClH

InChI: InChI=1S/C15H19F4N3O2.ClH/c1-21-5-2-6-22(8-7-21)13-4-3-11(9-12(13)16)20-14(23)24-10-15(17,18)19;/h3-4,9H,2,5-8,10H2,1H3,(H,20,23);1H

InChI key: InChIKey=JORIENZFIYTMIG-UHFFFAOYSA-N

SMILES: FC1=C(N2CCN(C)CCC2)C=CC(NC(OCC(F)(F)F)=O)=C1.Cl

Synonyms:

• Carbamic acid, N-[3-fluoro-4-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)phenyl]-, 2,2,2-trifluoroethyl ester, hydrochloride (1:1)