rel-(3aR,7aS)-5-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(methoxymethyl)-N-[(4-methylphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aS)-5-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(methoxymethyl)-N-[(4-methylphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
rel-(3aR,7aS)-5-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(methoxymethyl)-N-[(4-methylphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | S948-0262 |
| Compound Name: | rel-(3aR,7aS)-5-[4-cyano-3-(trifluoromethyl)phenyl]-7a-(methoxymethyl)-N-[(4-methylphenyl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide |
| Molecular Weight: | 486.54 |
| Molecular Formula: | C26 H29 F3 N4 O2 |
| Smiles: | Cc1ccc(CNC(N2C[C@H]3CN(CC[C@]3(C2)COC)c2ccc(C#N)c(c2)C(F)(F)F)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8349 |
| logD: | 3.8349 |
| logSw: | -3.9226 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.857 |
| InChI Key: | XLKUDLQZXCSRDI-SQJMNOBHSA-N |