rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(ethoxymethyl)-N-phenyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(ethoxymethyl)-N-phenyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(ethoxymethyl)-N-phenyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Compound characteristics
| Compound ID: | S948-5502 |
| Compound Name: | rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(ethoxymethyl)-N-phenyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide |
| Molecular Weight: | 472.51 |
| Molecular Formula: | C25 H27 F3 N4 O2 |
| Smiles: | CCOC[C@]12CCN(C[C@@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(Nc1ccccc1)=O |
| Stereo: | RELATIVE |
| logP: | 3.9532 |
| logD: | 3.9532 |
| logSw: | -4.0065 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.17 |
| InChI Key: | KWKDVHSKPZQKDJ-NTKDMRAZSA-N |