rel-(3aR,6aR)-N-(2,4-dimethylphenyl)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-N-(2,4-dimethylphenyl)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
rel-(3aR,6aR)-N-(2,4-dimethylphenyl)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Compound characteristics
| Compound ID: | S988-1080 |
| Compound Name: | rel-(3aR,6aR)-N-(2,4-dimethylphenyl)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C20 H27 N5 O4 S |
| Smiles: | CCS(N1C[C@@H]2CN(C[C@@]2(C1)c1nc(C)no1)C(Nc1ccc(C)cc1C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3341 |
| logD: | 2.3341 |
| logSw: | -2.9464 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.371 |
| InChI Key: | PEEZMLDJMUSQOT-UZLBHIALSA-N |