rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(methoxymethyl)-N-(3-methoxyphenyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(methoxymethyl)-N-(3-methoxyphenyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(methoxymethyl)-N-(3-methoxyphenyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Compound characteristics
| Compound ID: | S947-0262 |
| Compound Name: | rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(methoxymethyl)-N-(3-methoxyphenyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide |
| Molecular Weight: | 488.51 |
| Molecular Formula: | C25 H27 F3 N4 O3 |
| Smiles: | COC[C@]12CN(CC[C@@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(Nc1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8984 |
| logD: | 3.8984 |
| logSw: | -4.0704 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.079 |
| InChI Key: | OUVQTRJKXNTSRC-HOYKHHGWSA-N |