rel-(3aR,7aS)-5-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-diethyl-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aS)-5-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-diethyl-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
rel-(3aR,7aS)-5-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-diethyl-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | S948-0219 |
| Compound Name: | rel-(3aR,7aS)-5-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-diethyl-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide |
| Molecular Weight: | 438.49 |
| Molecular Formula: | C22 H29 F3 N4 O2 |
| Smiles: | CCN(CC)C(N1C[C@H]2CN(CC[C@]2(C1)COC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3569 |
| logD: | 3.3569 |
| logSw: | -3.43 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 46.804 |
| InChI Key: | UWEXZFMUSRDTAN-LAUBAEHRSA-N |