rel-(3aR,6aR)-5-methyl-3a-(pyrrolidine-1-carbonyl)-N-{[4-(trifluoromethoxy)phenyl]methyl}hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-5-methyl-3a-(pyrrolidine-1-carbonyl)-N-{[4-(trifluoromethoxy)phenyl]methyl}hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
rel-(3aR,6aR)-5-methyl-3a-(pyrrolidine-1-carbonyl)-N-{[4-(trifluoromethoxy)phenyl]methyl}hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Compound characteristics
| Compound ID: | S985-0092 |
| Compound Name: | rel-(3aR,6aR)-5-methyl-3a-(pyrrolidine-1-carbonyl)-N-{[4-(trifluoromethoxy)phenyl]methyl}hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide |
| Molecular Weight: | 440.46 |
| Molecular Formula: | C21 H27 F3 N4 O3 |
| Smiles: | CN1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(NCc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4729 |
| logD: | -2.8243 |
| logSw: | -2.8086 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.844 |
| InChI Key: | ASVLLEJJVKFWOV-UZLBHIALSA-N |