(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)[3-(trifluoromethyl)phenyl]methanone
Chemical Structure Depiction of
(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)[3-(trifluoromethyl)phenyl]methanone
(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)[3-(trifluoromethyl)phenyl]methanone
Compound characteristics
| Compound ID: | S460-0808 |
| Compound Name: | (3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)[3-(trifluoromethyl)phenyl]methanone |
| Molecular Weight: | 420.39 |
| Molecular Formula: | C19 H19 F3 N6 O2 |
| Smiles: | CC(C)c1nc(c2cn(C3CCN(C3)C(c3cccc(c3)C(F)(F)F)=O)nn2)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8958 |
| logD: | 2.8958 |
| logSw: | -3.0859 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 74.87 |
| InChI Key: | OACDASNSEXZZFQ-CQSZACIVSA-N |