rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-diethyl-3a-[(2-methoxyethoxy)methyl]octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-diethyl-3a-[(2-methoxyethoxy)methyl]octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-diethyl-3a-[(2-methoxyethoxy)methyl]octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Compound characteristics
| Compound ID: | S947-0434 |
| Compound Name: | rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-diethyl-3a-[(2-methoxyethoxy)methyl]octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide |
| Molecular Weight: | 482.55 |
| Molecular Formula: | C24 H33 F3 N4 O3 |
| Smiles: | CCN(CC)C(N1CC[C@@H]2CN(C[C@@]2(C1)COCCOC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8695 |
| logD: | 2.8695 |
| logSw: | -3.0635 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.075 |
| InChI Key: | ZSIOMAAVJWPRBA-AUSIDOKSSA-N |