1-[rel-(3aR,7aS)-5-[(4-bromo-2-fluorophenyl)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-bromo-2-fluorophenyl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aS)-5-[(4-bromo-2-fluorophenyl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1662 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-[(4-bromo-2-fluorophenyl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 399.3 |
| Molecular Formula: | C18 H24 Br F N2 O2 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)Cc1ccc(cc1F)[Br])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6815 |
| logD: | 1.8104 |
| logSw: | -2.7241 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.6773 |
| InChI Key: | NVPCWPPGDPUDJQ-MAUKXSAKSA-N |