5-[(4-methylbenzene-1-sulfonyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Chemical Structure Depiction of
5-[(4-methylbenzene-1-sulfonyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
5-[(4-methylbenzene-1-sulfonyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | L106-0392 |
| Compound Name: | 5-[(4-methylbenzene-1-sulfonyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole |
| Molecular Weight: | 382.36 |
| Molecular Formula: | C17 H13 F3 N2 O3 S |
| Smiles: | Cc1ccc(cc1)S(Cc1nc(c2cccc(c2)C(F)(F)F)no1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5258 |
| logD: | 4.5258 |
| logSw: | -4.4699 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.346 |
| InChI Key: | MUXITTWEIPNFTA-UHFFFAOYSA-N |