CAS 107047-27-8

1-[4-[4-(2,4-DI-TERT-PENTYLPHENOXY)-BUTYRAMIDO]-PHENYL]3-PYRROLIDINO-4-(1-PHENYL-TETRAZOL-5-YL)-THIO-PYRAZOLIN-5-ONE

Description:

The chemical substance known as 1-[4-[4-(2,4-DI-TERT-PENTYLPHENOXY)-BUTYRAMIDO]-PHENYL]3-PYRROLIDINO-4-(1-PHENYL-TETRAZOL-5-YL)-THIO-PYRAZOLIN-5-ONE, with the CAS number 107047-27-8, is a complex organic compound characterized by its multi-functional structure. It features a pyrazolin core, which is a five-membered ring containing two nitrogen atoms, and is substituted with various functional groups, including a phenyl group and a tetrazole moiety. The presence of a pyrrolidine ring contributes to its potential biological activity, while the bulky tert-pentyl groups enhance its lipophilicity, possibly affecting its solubility and permeability. This compound may exhibit pharmacological properties, making it of interest in medicinal chemistry. Its intricate structure suggests potential interactions with biological targets, which could be explored for therapeutic applications. However, specific properties such as solubility, melting point, and biological activity would require empirical investigation to fully characterize its behavior in various environments.

Formula: C₄₀H₅₀N₈O₃S

InChI: InChI=1/C40H50N8O3S/c1-7-39(3,4)28-18-23-33(32(27-28)40(5,6)8-2)51-26-14-17-34(49)41-29-19-21-31(22-20-29)47-37(50)35(36(43-47)46-24-12-13-25-46)52-38-42-44-45-48(38)30-15-10-9-11-16-30/h9-11,15-16,18-23,27,35H,7-8,12-14,17,24-26H2,1-6H3,(H,41,49)

SMILES: CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OCCCC(=O)Nc1ccc(cc1)N1C(=O)C(C(=N1)N1CCCC1)Sc1nnnn1c1ccccc1

Synonyms:

• dihydro-5-oxo-4-(1-phenyl-1H-tetrazol-5ylthio)-3-pyrrolidi
• 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(4-{5-oxo-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-3-pyrrolidin-1-yl-4,5-dihydro-1H-pyrazol-1-yl}phenyl)butanamide