2-(azepan-1-yl)-1-[rel-(3aR,6aR)-3a-(5-phenyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(azepan-1-yl)-1-[rel-(3aR,6aR)-3a-(5-phenyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one
2-(azepan-1-yl)-1-[rel-(3aR,6aR)-3a-(5-phenyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB55-0922 |
| Compound Name: | 2-(azepan-1-yl)-1-[rel-(3aR,6aR)-3a-(5-phenyl-1,2,4-oxadiazol-3-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 394.52 |
| Molecular Formula: | C23 H30 N4 O2 |
| Smiles: | [H][C@@]12CCC[C@]2(CN(C1)C(CN1CCCCCC1)=O)c1nc(c2ccccc2)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6644 |
| logD: | 1.2279 |
| logSw: | -3.6668 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.62 |
| InChI Key: | HLZGFGKRYZGQSC-XXBNENTESA-N |