rel-(3aR,6aR)-2-[(4-chlorophenyl)methanesulfonyl]-3a-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]octahydrocyclopenta[c]pyrrole
Chemical Structure Depiction of
rel-(3aR,6aR)-2-[(4-chlorophenyl)methanesulfonyl]-3a-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]octahydrocyclopenta[c]pyrrole
rel-(3aR,6aR)-2-[(4-chlorophenyl)methanesulfonyl]-3a-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]octahydrocyclopenta[c]pyrrole
Compound characteristics
| Compound ID: | SB55-1099 |
| Compound Name: | rel-(3aR,6aR)-2-[(4-chlorophenyl)methanesulfonyl]-3a-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]octahydrocyclopenta[c]pyrrole |
| Molecular Weight: | 409.93 |
| Molecular Formula: | C19 H24 Cl N3 O3 S |
| Smiles: | [H][C@@]12CCC[C@]2(CN(C1)S(Cc1ccc(cc1)[Cl])(=O)=O)c1nc(C(C)C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.2195 |
| logD: | 4.2195 |
| logSw: | -4.456 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.04 |
| InChI Key: | SOTYHSGOIRTLBT-BEFAXECRSA-N |