rel-(3aR,6aR)-2-benzyl-5-(5-fluoro-2-methylbenzene-1-sulfonyl)-N,N-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-benzyl-5-(5-fluoro-2-methylbenzene-1-sulfonyl)-N,N-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-benzyl-5-(5-fluoro-2-methylbenzene-1-sulfonyl)-N,N-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S985-1071 |
| Compound Name: | rel-(3aR,6aR)-2-benzyl-5-(5-fluoro-2-methylbenzene-1-sulfonyl)-N,N-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C23 H28 F N3 O3 S |
| Smiles: | Cc1ccc(cc1S(N1C[C@@H]2CN(Cc3ccccc3)C[C@@]2(C1)C(N(C)C)=O)(=O)=O)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3369 |
| logD: | -0.4521 |
| logSw: | -2.6827 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.877 |
| InChI Key: | YSQXMTJIHQJWGW-XXBNENTESA-N |