2-(azepan-1-yl)-1-{rel-(3R,4S)-3-(pyridin-3-yl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(azepan-1-yl)-1-{rel-(3R,4S)-3-(pyridin-3-yl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}ethan-1-one
2-(azepan-1-yl)-1-{rel-(3R,4S)-3-(pyridin-3-yl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | SB56-0675 |
| Compound Name: | 2-(azepan-1-yl)-1-{rel-(3R,4S)-3-(pyridin-3-yl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}ethan-1-one |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C24 H28 N6 O2 |
| Smiles: | C1CCCN(CC1)CC(N1C[C@@H](c2nc(c3ccncc3)no2)[C@@H](C1)c1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6011 |
| logD: | 1.695 |
| logSw: | -2.7561 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.008 |
| InChI Key: | PHZCNULPCWIUQJ-LEWJYISDSA-N |