CAS 477768-12-0

Carbamic acid, [2-(hexahydro-1H-azepin-1-yl)-1-[[[4-(hexahydro-1H-azepin-1-yl)-4-oxobutyl]thio]methyl]-2-oxoethyl]-, 1,1-dimethylethyl ester

Description:

Carbamic acid, with the specified name and CAS number 477768-12-0, is a complex organic compound characterized by its carbamate functional group, which is derived from carbamic acid. This substance features a hexahydro-1H-azepin moiety, indicating the presence of a saturated nitrogen-containing heterocyclic ring, contributing to its structural complexity and potential biological activity. The compound also contains a thioether linkage, which may enhance its reactivity and solubility properties. As an ester, it is likely to exhibit characteristics typical of carbamates, such as moderate stability under neutral conditions and susceptibility to hydrolysis in the presence of acids or bases. The presence of multiple functional groups suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. However, specific physical and chemical properties such as melting point, boiling point, and solubility would require empirical data for precise characterization. Safety and handling considerations should also be taken into account, as with any chemical substance, particularly those with complex structures.

Formula: C₂₄H₄₃N₃O₄S

InChI: InChI=1S/C24H43N3O4S/c1-24(2,3)31-23(30)25-20(22(29)27-16-10-6-7-11-17-27)19-32-18-12-13-21(28)26-14-8-4-5-9-15-26/h20H,4-19H2,1-3H3,(H,25,30)

InChI key: InChIKey=SMHJCLCNVDYYAO-UHFFFAOYSA-N

SMILES: C(C(=O)N1CCCCCC1)(NC(OC(C)(C)C)=O)CSCCCC(=O)N2CCCCCC2

Synonyms:

• Carbamic acid, [2-(hexahydro-1H-azepin-1-yl)-1-[[[4-(hexahydro-1H-azepin-1-yl)-4-oxobutyl]thio]methyl]-2-oxoethyl]-, 1,1-dimethylethyl ester