1-[rel-(3aR,6aR)-5-benzoyl-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-chlorophenyl)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-chlorophenyl)ethan-1-one
1-[rel-(3aR,6aR)-5-benzoyl-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-chlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | S987-0744 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-benzoyl-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-chlorophenyl)ethan-1-one |
| Molecular Weight: | 398.89 |
| Molecular Formula: | C22 H23 Cl N2 O3 |
| Smiles: | C(C(N1C[C@H]2CN(C[C@]2(C1)CO)C(c1ccccc1)=O)=O)c1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4432 |
| logD: | 2.4432 |
| logSw: | -3.0343 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.317 |
| InChI Key: | BNBGLNVXFAFTJD-PGRDOPGGSA-N |