1-[rel-(3aR,6aR)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
1-[rel-(3aR,6aR)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S984-1384 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C21 H30 N4 O4 |
| Smiles: | CC(C)C(N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(c1c(C)noc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0422 |
| logD: | 1.0422 |
| logSw: | -0.8744 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.053 |
| InChI Key: | PLFNIEWJFPIABE-IERDGZPVSA-N |