CAS 1417570-02-5

1H-1,4-Diazepine, 1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxido-3-isothiazolyl]hexahydro-, hydrochloride (1:1)

Description:

1H-1,4-Diazepine, 1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxido-3-isothiazolyl]hexahydro-, hydrochloride (1:1) is a complex organic compound characterized by its diazepine core, which consists of a seven-membered ring containing two nitrogen atoms. This compound features a substituent that includes a 4-fluorophenyl group and a 1,1-dioxido-3-isothiazolyl moiety, contributing to its unique chemical properties and potential biological activity. The presence of the hydrochloride indicates that it is a salt form, which often enhances solubility in water and may influence its pharmacokinetic properties. The compound's structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting various biological pathways. Its specific interactions, stability, and reactivity would depend on the functional groups present and the overall molecular conformation. As with many diazepine derivatives, it may exhibit properties such as anxiolytic, sedative, or anticonvulsant effects, although detailed biological activity would require further investigation.

Formula: C₁₅H₁₈FN₃O₂S·ClH

InChI: InChI=1S/C15H18FN3O2S.ClH/c1-11-14(12-3-5-13(16)6-4-12)22(20,21)18-15(11)19-9-2-7-17-8-10-19;/h3-6,17H,2,7-10H2,1H3;1H

InChI key: InChIKey=JNIPHCJGBDLBCG-UHFFFAOYSA-N

SMILES: CC1=C(S(=O)(=O)N=C1N2CCCNCC2)C3=CC=C(F)C=C3.Cl

Synonyms:

• 1H-1,4-Diazepine, 1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxido-3-isothiazolyl]hexahydro-, hydrochloride (1:1)