{rel-(1R,5S)-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-8-yl}[2-(trifluoromethoxy)phenyl]methanone
Chemical Structure Depiction of
{rel-(1R,5S)-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-8-yl}[2-(trifluoromethoxy)phenyl]methanone
{rel-(1R,5S)-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-8-yl}[2-(trifluoromethoxy)phenyl]methanone
Compound characteristics
| Compound ID: | S253-1043 |
| Compound Name: | {rel-(1R,5S)-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-8-yl}[2-(trifluoromethoxy)phenyl]methanone |
| Molecular Weight: | 444.41 |
| Molecular Formula: | C22 H19 F3 N4 O3 |
| Smiles: | C1C[C@@H]2C[C@H](C[C@H]1N2C(c1ccccc1OC(F)(F)F)=O)c1nc(c2ccncc2)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0065 |
| logD: | 4.0064 |
| logSw: | -4.3557 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.616 |
| InChI Key: | QFYHMXCTZSPMNP-MUJYYYPQSA-N |