1-[rel-(3aR,7aS)-7a-(methoxymethyl)-5-{[4-(trifluoromethyl)phenyl]methyl}octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-7a-(methoxymethyl)-5-{[4-(trifluoromethyl)phenyl]methyl}octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aS)-7a-(methoxymethyl)-5-{[4-(trifluoromethyl)phenyl]methyl}octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-0832 |
| Compound Name: | 1-[rel-(3aR,7aS)-7a-(methoxymethyl)-5-{[4-(trifluoromethyl)phenyl]methyl}octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 370.41 |
| Molecular Formula: | C19 H25 F3 N2 O2 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)Cc1ccc(cc1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4557 |
| logD: | 0.244 |
| logSw: | -2.4508 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.6773 |
| InChI Key: | SXEZENZSNCDPCG-ZWKOTPCHSA-N |