rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-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-ethyl-3a-[(2-methoxyethoxy)methyl]octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-3a-[(2-methoxyethoxy)methyl]octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Compound characteristics
| Compound ID: | S947-0414 |
| Compound Name: | rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-3a-[(2-methoxyethoxy)methyl]octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide |
| Molecular Weight: | 454.49 |
| Molecular Formula: | C22 H29 F3 N4 O3 |
| Smiles: | CCNC(N1CC[C@@H]2CN(C[C@@]2(C1)COCCOC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9757 |
| logD: | 1.9757 |
| logSw: | -2.8141 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.026 |
| InChI Key: | ZZAXNXRCIVCHDD-DYESRHJHSA-N |