rel-(3aR,6aR)-5-benzoyl-N~2~-(3-fluoro-2-methylphenyl)-N~3a~,N~3a~-dimethyltetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-5-benzoyl-N~2~-(3-fluoro-2-methylphenyl)-N~3a~,N~3a~-dimethyltetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide
rel-(3aR,6aR)-5-benzoyl-N~2~-(3-fluoro-2-methylphenyl)-N~3a~,N~3a~-dimethyltetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide
Compound characteristics
| Compound ID: | S984-1289 |
| Compound Name: | rel-(3aR,6aR)-5-benzoyl-N~2~-(3-fluoro-2-methylphenyl)-N~3a~,N~3a~-dimethyltetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C24 H27 F N4 O3 |
| Smiles: | Cc1c(cccc1F)NC(N1C[C@@H]2CN(C[C@@]2(C1)C(N(C)C)=O)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9953 |
| logD: | 1.9953 |
| logSw: | -2.5849 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.853 |
| InChI Key: | PJFFEJSCVAMVKW-KOSHJBKYSA-N |