3-(3-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
Chemical Structure Depiction of
3-(3-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
3-(3-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
Compound characteristics
| Compound ID: | J021-2398 |
| Compound Name: | 3-(3-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide |
| Molecular Weight: | 412.39 |
| Molecular Formula: | C16 H15 F3 N6 O2 S |
| Smiles: | Cc1nnc([nH]1)SCc1nc(CCC(Nc2ccc(cc2)C(F)(F)F)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.194 |
| logD: | 1.7689 |
| logSw: | -2.7077 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.841 |
| InChI Key: | WZSQFZFOVGDDFM-UHFFFAOYSA-N |