2-ethyl-1-[rel-(3aR,6aR)-3a-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]butan-1-one
Chemical Structure Depiction of
2-ethyl-1-[rel-(3aR,6aR)-3a-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]butan-1-one
2-ethyl-1-[rel-(3aR,6aR)-3a-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]butan-1-one
Compound characteristics
| Compound ID: | SB55-0364 |
| Compound Name: | 2-ethyl-1-[rel-(3aR,6aR)-3a-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]butan-1-one |
| Molecular Weight: | 319.45 |
| Molecular Formula: | C18 H29 N3 O2 |
| Smiles: | [H][C@@]12CCC[C@]2(CN(C1)C(C(CC)CC)=O)c1nc(C(C)C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.299 |
| logD: | 4.299 |
| logSw: | -4.0785 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.355 |
| InChI Key: | RKHWGIBTJJBWOZ-KDOFPFPSSA-N |