rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-N-(3-fluoro-2-methylphenyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-N-(3-fluoro-2-methylphenyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-N-(3-fluoro-2-methylphenyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Compound characteristics
| Compound ID: | S948-5272 |
| Compound Name: | rel-(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-N-(3-fluoro-2-methylphenyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide |
| Molecular Weight: | 490.5 |
| Molecular Formula: | C25 H26 F4 N4 O2 |
| Smiles: | Cc1c(cccc1F)NC(N1CC[C@]2(CN(C[C@H]2C1)c1ccc(C#N)c(c1)C(F)(F)F)COC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3413 |
| logD: | 4.3413 |
| logSw: | -4.3085 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.837 |
| InChI Key: | ZXFSAFRUBJZMNG-MHECFPHRSA-N |