rel-(3aR,7aR)-5-(5-fluoro-2-methoxybenzene-1-sulfonyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aR)-5-(5-fluoro-2-methoxybenzene-1-sulfonyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aR)-5-(5-fluoro-2-methoxybenzene-1-sulfonyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | S997-1233 |
| Compound Name: | rel-(3aR,7aR)-5-(5-fluoro-2-methoxybenzene-1-sulfonyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 436.52 |
| Molecular Formula: | C17 H25 F N2 O6 S2 |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)S(c1cc(ccc1OC)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0192 |
| logD: | 1.0192 |
| logSw: | -2.3293 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 79.373 |
| InChI Key: | XAVSAEHWCGZHRI-SUMWQHHRSA-N |