1-[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methylphenoxy)ethan-1-one
1-[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S988-0462 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C20 H26 N4 O5 S |
| Smiles: | CCS(N1C[C@@H]2CN(C[C@@]2(C1)c1nc(C)no1)C(COc1cccc(C)c1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3613 |
| logD: | 1.3613 |
| logSw: | -2.3289 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.22 |
| InChI Key: | ORMPXGDAUWMSMS-UZLBHIALSA-N |