rel-(3aR,7aS)-5-[4-cyano-3-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
rel-(3aR,7aS)-5-[4-cyano-3-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | S948-0255 |
| Compound Name: | rel-(3aR,7aS)-5-[4-cyano-3-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide |
| Molecular Weight: | 486.54 |
| Molecular Formula: | C26 H29 F3 N4 O2 |
| Smiles: | Cc1ccc(cc1C)NC(N1C[C@H]2CN(CC[C@]2(C1)COC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.7714 |
| logD: | 4.7714 |
| logSw: | -4.4614 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.535 |
| InChI Key: | WRSRJCKWOPRGMI-NBGIEHNGSA-N |