rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(ethoxymethyl)-N-(2-methoxyethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(ethoxymethyl)-N-(2-methoxyethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(ethoxymethyl)-N-(2-methoxyethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Compound characteristics
| Compound ID: | S947-0620 |
| Compound Name: | rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(ethoxymethyl)-N-(2-methoxyethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide |
| Molecular Weight: | 454.49 |
| Molecular Formula: | C22 H29 F3 N4 O3 |
| Smiles: | CCOC[C@@]12CN(CC[C@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(NCCOC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7962 |
| logD: | 2.7962 |
| logSw: | -3.1864 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.947 |
| InChI Key: | ZYYWXGDSOUMSCU-DYESRHJHSA-N |