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 | 
 
				 
				