3-[(4-methylbenzene-1-sulfonyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Chemical Structure Depiction of
3-[(4-methylbenzene-1-sulfonyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
3-[(4-methylbenzene-1-sulfonyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | M354-0218 |
| Compound Name: | 3-[(4-methylbenzene-1-sulfonyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole |
| Molecular Weight: | 382.36 |
| Molecular Formula: | C17 H13 F3 N2 O3 S |
| Smiles: | Cc1ccc(cc1)S(Cc1nc(c2ccc(cc2)C(F)(F)F)on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1856 |
| logD: | 4.1856 |
| logSw: | -4.2546 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.671 |
| InChI Key: | VHNNVXDJJMGMQQ-UHFFFAOYSA-N |