5-{5-[(3,4-dimethoxybenzene-1-sulfonyl)methyl]furan-2-yl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Chemical Structure Depiction of
5-{5-[(3,4-dimethoxybenzene-1-sulfonyl)methyl]furan-2-yl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
5-{5-[(3,4-dimethoxybenzene-1-sulfonyl)methyl]furan-2-yl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Compound characteristics
Compound ID: | F838-0104 |
Compound Name: | 5-{5-[(3,4-dimethoxybenzene-1-sulfonyl)methyl]furan-2-yl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole |
Molecular Weight: | 494.44 |
Molecular Formula: | C22 H17 F3 N2 O6 S |
Smiles: | COc1ccc(cc1OC)S(Cc1ccc(c2nc(c3ccc(cc3)C(F)(F)F)no2)o1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.8052 |
logD: | 4.8052 |
logSw: | -4.7634 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 83.511 |
InChI Key: | HWMSGNNHHJRLBS-UHFFFAOYSA-N |