rel-(3aR,6aR)-5-benzyl-N~2~-(3-chloro-4-fluorophenyl)-N~3a~,N~3a~-dimethyltetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-5-benzyl-N~2~-(3-chloro-4-fluorophenyl)-N~3a~,N~3a~-dimethyltetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide
rel-(3aR,6aR)-5-benzyl-N~2~-(3-chloro-4-fluorophenyl)-N~3a~,N~3a~-dimethyltetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide
Compound characteristics
| Compound ID: | S985-1170 |
| Compound Name: | rel-(3aR,6aR)-5-benzyl-N~2~-(3-chloro-4-fluorophenyl)-N~3a~,N~3a~-dimethyltetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide |
| Molecular Weight: | 444.94 |
| Molecular Formula: | C23 H26 Cl F N4 O2 |
| Smiles: | CN(C)C([C@@]12CN(Cc3ccccc3)C[C@H]2CN(C1)C(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8264 |
| logD: | -1.3127 |
| logSw: | -3.4972 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.635 |
| InChI Key: | AWFCNMJWLHSSIZ-HXOBKFHXSA-N |