5-{5-[(4-methylbenzene-1-sulfonyl)methyl]furan-2-yl}-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Chemical Structure Depiction of
5-{5-[(4-methylbenzene-1-sulfonyl)methyl]furan-2-yl}-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
5-{5-[(4-methylbenzene-1-sulfonyl)methyl]furan-2-yl}-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | F838-0043 |
| Compound Name: | 5-{5-[(4-methylbenzene-1-sulfonyl)methyl]furan-2-yl}-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole |
| Molecular Weight: | 448.42 |
| Molecular Formula: | C21 H15 F3 N2 O4 S |
| Smiles: | Cc1ccc(cc1)S(Cc1ccc(c2nc(c3cccc(c3)C(F)(F)F)no2)o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6148 |
| logD: | 5.6148 |
| logSw: | -5.7031 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.25 |
| InChI Key: | MNNYBJIBAIHTFZ-UHFFFAOYSA-N |