rel-(3aR,7aS)-N-benzyl-5-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aS)-N-benzyl-5-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
rel-(3aR,7aS)-N-benzyl-5-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | S948-0558 |
| Compound Name: | rel-(3aR,7aS)-N-benzyl-5-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide |
| Molecular Weight: | 486.54 |
| Molecular Formula: | C26 H29 F3 N4 O2 |
| Smiles: | CCOC[C@]12CCN(C[C@@H]2CN(C1)C(NCc1ccccc1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7725 |
| logD: | 3.7725 |
| logSw: | -3.9351 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.492 |
| InChI Key: | ILYHCAYSQIPCSE-SQJMNOBHSA-N |