1-[rel-(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
1-[rel-(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S985-0393 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 360.46 |
| Molecular Formula: | C19 H28 N4 O3 |
| Smiles: | CC(N1C[C@H]2CN(Cc3c(C)noc3C)C[C@]2(C1)C(N1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6523 |
| logD: | -5.605 |
| logSw: | -0.3142 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.605 |
| InChI Key: | WTMMFIRXPMTSGE-LPHOPBHVSA-N |