3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Chemical Structure Depiction of
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | S988-0467 |
| Compound Name: | 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C19 H28 N6 O4 S |
| Smiles: | CCS(N1C[C@@H]2CN(C[C@@]2(C1)c1nc(C)no1)C(CCn1c(C)cc(C)n1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.3159 |
| logD: | -0.3161 |
| logSw: | -1.3472 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 93.706 |
| InChI Key: | DAUMVUXICYFDBW-APWZRJJASA-N |