rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-[(5-methylpyridin-2-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-[(5-methylpyridin-2-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-[(5-methylpyridin-2-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0976 |
| Compound Name: | rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-[(5-methylpyridin-2-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C23 H28 N4 O2 |
| Smiles: | Cc1ccc(CN2C[C@@H]3CN(C[C@@]3(C2)C(N(C)C)=O)C(c2ccccc2)=O)nc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1915 |
| logD: | -3.0323 |
| logSw: | -1.6128 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.447 |
| InChI Key: | ZQHXAGXSOHJUSN-XXBNENTESA-N |