N-{4-[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]phenyl}acetamide
N-{4-[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]phenyl}acetamide
Compound characteristics
| Compound ID: | S988-1075 |
| Compound Name: | N-{4-[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]phenyl}acetamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C20 H25 N5 O5 S |
| Smiles: | CCS(N1C[C@@H]2CN(C[C@@]2(C1)c1nc(C)no1)C(c1ccc(cc1)NC(C)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2587 |
| logD: | 0.2585 |
| logSw: | -2.3108 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.51 |
| InChI Key: | APSLWTLSFACNKR-UZLBHIALSA-N |