1-[rel-(3aR,6aR)-5-benzoyl-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-benzoyl-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
1-[rel-(3aR,6aR)-5-benzoyl-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | S987-0793 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-benzoyl-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C21 H25 N3 O4 |
| Smiles: | Cc1c(CC(N2C[C@H]3CN(C[C@]3(C2)CO)C(c2ccccc2)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8511 |
| logD: | 0.8511 |
| logSw: | -1.2842 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.355 |
| InChI Key: | QPDCHMSSEFYCEF-UWJYYQICSA-N |