[rel-(3aR,7aS)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-2-(methanesulfonyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aS)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-2-(methanesulfonyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol
[rel-(3aR,7aS)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-2-(methanesulfonyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol
Compound characteristics
| Compound ID: | S996-0249 |
| Compound Name: | [rel-(3aR,7aS)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-2-(methanesulfonyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C18 H26 N2 O4 S |
| Smiles: | CS(N1C[C@H]2CCN(Cc3ccc4c(CCO4)c3)C[C@]2(C1)CO)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9072 |
| logD: | -0.9887 |
| logSw: | -2.111 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.694 |
| InChI Key: | LUCOJGJNZONURY-SJLPKXTDSA-N |