3-(benzenesulfonyl)-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]propan-1-one
Chemical Structure Depiction of
3-(benzenesulfonyl)-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]propan-1-one
3-(benzenesulfonyl)-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]propan-1-one
Compound characteristics
| Compound ID: | S997-1187 |
| Compound Name: | 3-(benzenesulfonyl)-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]propan-1-one |
| Molecular Weight: | 444.57 |
| Molecular Formula: | C19 H28 N2 O6 S2 |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)C(CCS(c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0196 |
| logD: | 0.0196 |
| logSw: | -1.9775 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.189 |
| InChI Key: | DFRUEVLPQGOYSU-QFBILLFUSA-N |