2-(benzyloxy)-1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
2-(benzyloxy)-1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
2-(benzyloxy)-1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S996-0297 |
| Compound Name: | 2-(benzyloxy)-1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C18 H26 N2 O5 S |
| Smiles: | CS(N1C[C@H]2CCN(C[C@]2(C1)CO)C(COCc1ccccc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2721 |
| logD: | 0.2721 |
| logSw: | -1.8598 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.279 |
| InChI Key: | GWLHSDOZULNOMZ-SJLPKXTDSA-N |