4-[rel-(3aR,7aS)-7a-(methoxymethyl)-2-(5-methylpyridine-3-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aS)-7a-(methoxymethyl)-2-(5-methylpyridine-3-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aS)-7a-(methoxymethyl)-2-(5-methylpyridine-3-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-0229 |
| Compound Name: | 4-[rel-(3aR,7aS)-7a-(methoxymethyl)-2-(5-methylpyridine-3-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 458.48 |
| Molecular Formula: | C24 H25 F3 N4 O2 |
| Smiles: | Cc1cc(cnc1)C(N1C[C@H]2CN(CC[C@]2(C1)COC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6421 |
| logD: | 2.6418 |
| logSw: | -2.6389 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.321 |
| InChI Key: | ZURWKCLFGQAHSM-WMZHIEFXSA-N |