rel-(3aR,6aR)-2-benzyl-5-(2-ethoxybenzoyl)-N,N-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-benzyl-5-(2-ethoxybenzoyl)-N,N-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-benzyl-5-(2-ethoxybenzoyl)-N,N-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0107 |
| Compound Name: | rel-(3aR,6aR)-2-benzyl-5-(2-ethoxybenzoyl)-N,N-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C25 H31 N3 O3 |
| Smiles: | CCOc1ccccc1C(N1C[C@@H]2CN(Cc3ccccc3)C[C@@]2(C1)C(N(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0349 |
| logD: | -2.3644 |
| logSw: | -2.734 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.024 |
| InChI Key: | BEAWJMMRCSOKTH-NLFFAJNJSA-N |