1-[rel-(3aR,6aR)-5-benzyl-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-phenylpropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-benzyl-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-phenylpropan-1-one
1-[rel-(3aR,6aR)-5-benzyl-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | S987-0258 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-benzyl-3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-phenylpropan-1-one |
| Molecular Weight: | 364.49 |
| Molecular Formula: | C23 H28 N2 O2 |
| Smiles: | C(Cc1ccccc1)C(N1C[C@H]2CN(Cc3ccccc3)C[C@]2(C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7092 |
| logD: | -2.6617 |
| logSw: | -2.5592 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.401 |
| InChI Key: | DAUWRSYZQKNXGA-GMAHTHKFSA-N |