rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(ethoxymethyl)-N-(3-methoxypropyl)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-(3-methoxypropyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(ethoxymethyl)-N-(3-methoxypropyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Compound characteristics
| Compound ID: | S947-0616 |
| Compound Name: | rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(ethoxymethyl)-N-(3-methoxypropyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide |
| Molecular Weight: | 468.52 |
| Molecular Formula: | C23 H31 F3 N4 O3 |
| Smiles: | CCOC[C@@]12CN(CC[C@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(NCCCOC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9957 |
| logD: | 2.9957 |
| logSw: | -3.252 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.947 |
| InChI Key: | DASBQOKAQIPGRD-XMSQKQJNSA-N |