4-[rel-(3aR,7aR)-5-(3-fluoro-4-methoxybenzoyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-5-(3-fluoro-4-methoxybenzoyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-5-(3-fluoro-4-methoxybenzoyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-5176 |
| Compound Name: | 4-[rel-(3aR,7aR)-5-(3-fluoro-4-methoxybenzoyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 491.48 |
| Molecular Formula: | C25 H25 F4 N3 O3 |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(c1ccc(c(c1)F)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4125 |
| logD: | 3.4125 |
| logSw: | -3.638 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.344 |
| InChI Key: | OALXXYXITMTLSX-MHECFPHRSA-N |