rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-[(5-methylpyridin-2-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-[(5-methylpyridin-2-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-[(5-methylpyridin-2-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | S997-0766 |
| Compound Name: | rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-[(5-methylpyridin-2-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 353.48 |
| Molecular Formula: | C17 H27 N3 O3 S |
| Smiles: | Cc1ccc(CN2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)COC)nc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0429 |
| logD: | 0.1891 |
| logSw: | -2.0501 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.397 |
| InChI Key: | SACJMLPUWXJTKW-NVXWUHKLSA-N |