[rel-(3aR,6aR)-5-benzoyl-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-methylpyridin-2-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzoyl-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-methylpyridin-2-yl)methanone
[rel-(3aR,6aR)-5-benzoyl-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-methylpyridin-2-yl)methanone
Compound characteristics
| Compound ID: | S987-0769 |
| Compound Name: | [rel-(3aR,6aR)-5-benzoyl-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-methylpyridin-2-yl)methanone |
| Molecular Weight: | 365.43 |
| Molecular Formula: | C21 H23 N3 O3 |
| Smiles: | Cc1cccnc1C(N1C[C@H]2CN(C[C@]2(C1)CO)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0547 |
| logD: | 1.0547 |
| logSw: | -1.4792 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.663 |
| InChI Key: | MSIITKGZMOUVGZ-UWJYYQICSA-N |