3-(benzenesulfonyl)-1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]propan-1-one
Chemical Structure Depiction of
3-(benzenesulfonyl)-1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]propan-1-one
3-(benzenesulfonyl)-1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]propan-1-one
Compound characteristics
| Compound ID: | S858-5904 |
| Compound Name: | 3-(benzenesulfonyl)-1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]propan-1-one |
| Molecular Weight: | 430.54 |
| Molecular Formula: | C18 H26 N2 O6 S2 |
| Smiles: | CS(N1C[C@@H]2CCN(C[C@@]2(C1)CO)C(CCS(c1ccccc1)(=O)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.4001 |
| logD: | -0.4001 |
| logSw: | -1.859 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.881 |
| InChI Key: | BIFKINXVIXIHSK-CRAIPNDOSA-N |