rel-(3aR,7aS)-5-[(3-fluoropyridin-4-yl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aS)-5-[(3-fluoropyridin-4-yl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aS)-5-[(3-fluoropyridin-4-yl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | S997-0753 |
| Compound Name: | rel-(3aR,7aS)-5-[(3-fluoropyridin-4-yl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 357.45 |
| Molecular Formula: | C16 H24 F N3 O3 S |
| Smiles: | COC[C@]12CCN(Cc3ccncc3F)C[C@@H]2CN(C1)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6881 |
| logD: | 0.5655 |
| logSw: | -1.6857 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.282 |
| InChI Key: | BUFLRSOTKMYOES-GDBMZVCRSA-N |