4-[rel-(3aR,7aS)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aS)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aS)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-5239 |
| Compound Name: | 4-[rel-(3aR,7aS)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 375.82 |
| Molecular Formula: | C17 H20 F3 N3 O |
| Salt: | HCl |
| Smiles: | [H]N1CC[C@]2(CN(C[C@H]2C1)c1ccc(C#N)c(c1)C(F)(F)F)COC |
| Stereo: | RELATIVE |
| logP: | 1.6423 |
| logD: | -1.1561 |
| logSw: | -2.4018 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.216 |
| InChI Key: | QQFSYFCHERPNKK-CZUORRHYSA-N |