1-[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
1-[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S986-0382 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 423.56 |
| Molecular Formula: | C24 H33 N5 O2 |
| Smiles: | Cc1cc(C)n(CCC(N2C[C@H]3CN(C[C@@]3(CN(C)C)C2)C(c2ccccc2)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3255 |
| logD: | -2.7907 |
| logSw: | -1.6143 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.074 |
| InChI Key: | KOJJTBBTPXNQJN-URXFXBBRSA-N |