(4-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}piperidin-1-yl)[4-(trifluoromethoxy)phenyl]methanone
Chemical Structure Depiction of
(4-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}piperidin-1-yl)[4-(trifluoromethoxy)phenyl]methanone
(4-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}piperidin-1-yl)[4-(trifluoromethoxy)phenyl]methanone
Compound characteristics
| Compound ID: | S454-0486 |
| Compound Name: | (4-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}piperidin-1-yl)[4-(trifluoromethoxy)phenyl]methanone |
| Molecular Weight: | 450.42 |
| Molecular Formula: | C20 H21 F3 N6 O3 |
| Smiles: | CC(C)c1nc(c2cn(C3CCN(CC3)C(c3ccc(cc3)OC(F)(F)F)=O)nn2)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.8659 |
| logD: | 3.8659 |
| logSw: | -3.8519 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 80.507 |
| InChI Key: | NXLJKZUZBJPIPO-UHFFFAOYSA-N |