rel-(3aR,7aS)-5-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-fluorophenyl)-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-(2-fluorophenyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
rel-(3aR,7aS)-5-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-fluorophenyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | S948-0176 |
| Compound Name: | rel-(3aR,7aS)-5-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-fluorophenyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide |
| Molecular Weight: | 476.47 |
| Molecular Formula: | C24 H24 F4 N4 O2 |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)C(Nc1ccccc1F)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9602 |
| logD: | 3.9602 |
| logSw: | -4.0586 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.837 |
| InChI Key: | ARRCFCXXIWMSSH-UZUQRXQVSA-N |