CAS 76129-16-3

2,2,2-trifluoro-N-[(7S)-1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Description:

2,2,2-Trifluoro-N-[(7S)-1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide, with CAS number 76129-16-3, is a complex organic compound characterized by its unique structural features, including a trifluoroacetamide group and a tetrahydrobenzo[a]heptalene core. The presence of trifluoromethyl groups typically enhances the lipophilicity and metabolic stability of the compound, making it potentially useful in pharmaceutical applications. The trimethoxy and methylsulfanyl substituents contribute to its chemical reactivity and solubility properties. This compound may exhibit biological activity due to its intricate structure, which could interact with various biological targets. Its synthesis and characterization would involve advanced organic chemistry techniques, and its stability and reactivity would be influenced by the functional groups present. Overall, this compound represents a class of molecules that may have significant implications in medicinal chemistry and drug development, although specific biological activities and applications would require further investigation.

Formula: C₂₂H₂₂F₃NO₅S

InChI: InChI=1/C22H22F3NO5S/c1-29-16-9-11-5-7-14(26-21(28)22(23,24)25)13-10-15(27)17(32-4)8-6-12(13)18(11)20(31-3)19(16)30-2/h6,8-10,14H,5,7H2,1-4H3,(H,26,28)/t14-/m0/s1

SMILES: COc1cc2CC[C@@H](c3cc(=O)c(ccc3c2c(c1OC)OC)SC)N=C(C(F)(F)F)O

Synonyms:

• Acetamide, 2,2,2-trifluoro-N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, (S)-
• acetamide, 2,2,2-trifluoro-N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-
• Acetamide, N-(5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(a)heptalen-7-yl)-2,2,2-trifluoro-, (S)-
• 2,2,2-Trifluoro-N-[(7S)-1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide