rel-(3aR,7aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | S997-0795 |
| Compound Name: | rel-(3aR,7aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 357.47 |
| Molecular Formula: | C16 H27 N3 O4 S |
| Smiles: | Cc1c(CN2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)COC)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5693 |
| logD: | -1.9667 |
| logSw: | -1.3247 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.803 |
| InChI Key: | DFKTWJQXUYOYDO-GDBMZVCRSA-N |