1-{4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one
Chemical Structure Depiction of
1-{4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one
1-{4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one
Compound characteristics
| Compound ID: | S454-0311 |
| Compound Name: | 1-{4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one |
| Molecular Weight: | 450.42 |
| Molecular Formula: | C20 H21 F3 N6 O3 |
| Smiles: | CCc1nc(c2cn(C3CCN(CC3)C(Cc3ccc(cc3)OC(F)(F)F)=O)nn2)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.5942 |
| logD: | 3.5942 |
| logSw: | -3.5161 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 80.97 |
| InChI Key: | UVKLFVBJDARHSF-UHFFFAOYSA-N |