rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0961 |
| Compound Name: | rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C22 H28 N4 O2 |
| Smiles: | CN(C)C([C@]12CN(Cc3cccn3C)C[C@@H]2CN(C1)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9893 |
| logD: | -2.8115 |
| logSw: | -1.6319 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.712 |
| InChI Key: | IKTYJVXIDNZJQI-GCJKJVERSA-N |