1-[rel-(3aR,7aS)-5-[(4-chlorophenyl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-[(4-chlorophenyl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aS)-5-[(4-chlorophenyl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-0828 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-[(4-chlorophenyl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 336.86 |
| Molecular Formula: | C18 H25 Cl N2 O2 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)Cc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1777 |
| logD: | 1.0306 |
| logSw: | -2.7512 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.6773 |
| InChI Key: | FMHQTGDTAVGAHF-FUHWJXTLSA-N |