rel-(3aR,7aR)-N-benzyl-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(ethoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aR)-N-benzyl-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(ethoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
rel-(3aR,7aR)-N-benzyl-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(ethoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Compound characteristics
| Compound ID: | S947-0560 |
| Compound Name: | rel-(3aR,7aR)-N-benzyl-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(ethoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide |
| Molecular Weight: | 486.54 |
| Molecular Formula: | C26 H29 F3 N4 O2 |
| Smiles: | CCOC[C@@]12CN(CC[C@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8204 |
| logD: | 3.8204 |
| logSw: | -3.9085 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.492 |
| InChI Key: | JJXPUNXASGDSGE-PXDATVDWSA-N |