2-ethyl-1-{rel-(1R,5S)-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-8-yl}butan-1-one
Chemical Structure Depiction of
2-ethyl-1-{rel-(1R,5S)-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-8-yl}butan-1-one
2-ethyl-1-{rel-(1R,5S)-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-8-yl}butan-1-one
Compound characteristics
| Compound ID: | S253-0742 |
| Compound Name: | 2-ethyl-1-{rel-(1R,5S)-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-8-yl}butan-1-one |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | CCC(CC)C(N1[C@H]2CC[C@@H]1C[C@H](C2)c1nc(c2ccncc2)no1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2723 |
| logD: | 3.2722 |
| logSw: | -2.8418 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.864 |
| InChI Key: | VJRMMZVVEQMLOS-BJWYYQGGSA-N |