5-{5-[(4-methylbenzene-1-sulfonyl)methyl]furan-2-yl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Chemical Structure Depiction of
5-{5-[(4-methylbenzene-1-sulfonyl)methyl]furan-2-yl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
5-{5-[(4-methylbenzene-1-sulfonyl)methyl]furan-2-yl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Compound characteristics
Compound ID: | F838-0044 |
Compound Name: | 5-{5-[(4-methylbenzene-1-sulfonyl)methyl]furan-2-yl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole |
Molecular Weight: | 448.42 |
Molecular Formula: | C21 H15 F3 N2 O4 S |
Smiles: | Cc1ccc(cc1)S(Cc1ccc(c2nc(c3ccc(cc3)C(F)(F)F)no2)o1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 5.6858 |
logD: | 5.6858 |
logSw: | -5.5956 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 68.25 |
InChI Key: | CJWHLGJSZYFEQN-UHFFFAOYSA-N |