rel-(3aR,6aR)-2-benzoyl-5-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-N,N-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-benzoyl-5-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-N,N-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-benzoyl-5-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-N,N-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0913 |
| Compound Name: | rel-(3aR,6aR)-2-benzoyl-5-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-N,N-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C21 H27 N5 O4 S |
| Smiles: | Cc1nc(cn1C)S(N1C[C@@H]2CN(C[C@@]2(C1)C(N(C)C)=O)C(c1ccccc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.259 |
| logD: | -0.259 |
| logSw: | -1.8246 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.142 |
| InChI Key: | QTJQYYHVMPGWKT-UTKZUKDTSA-N |