1-[rel-(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-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-oxazol-4-yl)acetyl]-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-oxazol-4-yl)acetyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S985-0284 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C22 H32 N4 O4 |
| Smiles: | CC(C)C(N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(Cc1c(C)noc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3128 |
| logD: | 1.3128 |
| logSw: | -1.2158 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.526 |
| InChI Key: | IXHYWMOGLRVEJZ-JTSKRJEESA-N |