3-(benzenesulfonyl)-1-[rel-(3aR,6aR)-3a-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]propan-1-one
Chemical Structure Depiction of
3-(benzenesulfonyl)-1-[rel-(3aR,6aR)-3a-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]propan-1-one
3-(benzenesulfonyl)-1-[rel-(3aR,6aR)-3a-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | SB55-0556 |
| Compound Name: | 3-(benzenesulfonyl)-1-[rel-(3aR,6aR)-3a-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]propan-1-one |
| Molecular Weight: | 431.55 |
| Molecular Formula: | C22 H29 N3 O4 S |
| Smiles: | [H][C@@]12CCC[C@]2(CN(C1)C(CCS(c1ccccc1)(=O)=O)=O)c1nc(CC(C)C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1344 |
| logD: | 3.1344 |
| logSw: | -3.2901 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.258 |
| InChI Key: | MTIZNGQWTSFADU-VGSWGCGISA-N |