rel-(3aR,6aR)-N-(2-fluorophenyl)-5-(2-methylpropanoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-N-(2-fluorophenyl)-5-(2-methylpropanoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
rel-(3aR,6aR)-N-(2-fluorophenyl)-5-(2-methylpropanoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-1319 |
| Compound Name: | rel-(3aR,6aR)-N-(2-fluorophenyl)-5-(2-methylpropanoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide |
| Molecular Weight: | 416.49 |
| Molecular Formula: | C22 H29 F N4 O3 |
| Smiles: | CC(C)C(N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(Nc1ccccc1F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4674 |
| logD: | 2.4673 |
| logSw: | -2.8461 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.138 |
| InChI Key: | OIECORBOVXFRGI-ZHRRBRCNSA-N |