1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-phenoxyethan-1-one
1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | S997-0659 |
| Compound Name: | 1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 368.45 |
| Molecular Formula: | C17 H24 N2 O5 S |
| Smiles: | CS(N1C[C@H]2CN(CC[C@]2(C1)CO)C(COc1ccccc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0753 |
| logD: | 0.0753 |
| logSw: | -1.8199 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.343 |
| InChI Key: | XZIWKQMXKGTNDV-RHSMWYFYSA-N |