2-(3-methylphenyl)-1-[rel-(3aR,6aR)-3a-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-methylphenyl)-1-[rel-(3aR,6aR)-3a-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one
2-(3-methylphenyl)-1-[rel-(3aR,6aR)-3a-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB55-0310 |
| Compound Name: | 2-(3-methylphenyl)-1-[rel-(3aR,6aR)-3a-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 353.46 |
| Molecular Formula: | C21 H27 N3 O2 |
| Smiles: | [H][C@@]12CCC[C@]2(CN(C1)C(Cc1cccc(C)c1)=O)c1nc(C(C)C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.7688 |
| logD: | 4.7688 |
| logSw: | -4.6045 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.556 |
| InChI Key: | SCGNNDXYBJQYSS-UTKZUKDTSA-N |