1-[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methylphenyl)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-(2-methylphenyl)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-(2-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S988-1069 |
| 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-(2-methylphenyl)ethan-1-one |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C20 H26 N4 O4 S |
| Smiles: | CCS(N1C[C@@H]2CN(C[C@@]2(C1)c1nc(C)no1)C(Cc1ccccc1C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.125 |
| logD: | 2.125 |
| logSw: | -2.4976 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.72 |
| InChI Key: | JWTJAZSVRUCUAO-XLIONFOSSA-N |