3-{2-[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-{2-[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
3-{2-[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | S986-0166 |
| Compound Name: | 3-{2-[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 434.54 |
| Molecular Formula: | C25 H30 N4 O3 |
| Smiles: | CN(C)C[C@]12CN(Cc3ccccc3)C[C@@H]2CN(C1)C(CN1C(=O)Oc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8194 |
| logD: | -2.9766 |
| logSw: | -2.0386 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.273 |
| InChI Key: | HQKZMDHZQROPLJ-CPJSRVTESA-N |