1-[rel-(3aR,7aR)-7a-(hydroxymethyl)-2-{[4-(trifluoromethyl)phenyl]methyl}octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-7a-(hydroxymethyl)-2-{[4-(trifluoromethyl)phenyl]methyl}octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aR)-7a-(hydroxymethyl)-2-{[4-(trifluoromethyl)phenyl]methyl}octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1326 |
| Compound Name: | 1-[rel-(3aR,7aR)-7a-(hydroxymethyl)-2-{[4-(trifluoromethyl)phenyl]methyl}octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 356.39 |
| Molecular Formula: | C18 H23 F3 N2 O2 |
| Smiles: | CC(N1CC[C@]2(CN(Cc3ccc(cc3)C(F)(F)F)C[C@H]2C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8556 |
| logD: | -2.7363 |
| logSw: | -1.9313 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.369 |
| InChI Key: | WZQDLFNTLTXBDF-DLBZAZTESA-N |