rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopentyl-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-cyclopentyl-3a-[(2-methoxyethoxy)methyl]octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopentyl-3a-[(2-methoxyethoxy)methyl]octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Compound characteristics
| Compound ID: | S947-0464 |
| Compound Name: | rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopentyl-3a-[(2-methoxyethoxy)methyl]octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide |
| Molecular Weight: | 494.56 |
| Molecular Formula: | C25 H33 F3 N4 O3 |
| Smiles: | COCCOC[C@]12CN(CC[C@@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(NC1CCCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2204 |
| logD: | 3.2203 |
| logSw: | -3.3959 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.22 |
| InChI Key: | IISVZNYPHZYXCE-NTKDMRAZSA-N |