rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-(4-phenylbutanoyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-(4-phenylbutanoyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-(4-phenylbutanoyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0943 |
| Compound Name: | rel-(3aR,6aR)-2-benzoyl-N,N-dimethyl-5-(4-phenylbutanoyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C26 H31 N3 O3 |
| Smiles: | CN(C)C([C@]12CN(C[C@@H]2CN(C1)C(c1ccccc1)=O)C(CCCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2405 |
| logD: | 2.2405 |
| logSw: | -2.386 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.202 |
| InChI Key: | ITYMLAUBZWUNLL-GJZUVCINSA-N |