1-[rel-(3aR,7aR)-2-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aR)-2-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | CM2432-2850 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 390.83 |
| Molecular Formula: | C18 H22 Cl F3 N2 O2 |
| Smiles: | CC(N1CC[C@@]2(CN(Cc3cc(ccc3[Cl])C(F)(F)F)C[C@@H]2C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5488 |
| logD: | -0.0169 |
| logSw: | -3.2292 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.369 |
| InChI Key: | HERBTUSAUAPDIR-DOTOQJQBSA-N |