rel-(3aR,7aR)-5-(benzenesulfonyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aR)-5-(benzenesulfonyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aR)-5-(benzenesulfonyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | S997-1179 |
| Compound Name: | rel-(3aR,7aR)-5-(benzenesulfonyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 388.5 |
| Molecular Formula: | C16 H24 N2 O5 S2 |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9779 |
| logD: | 0.9779 |
| logSw: | -2.0528 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 71.743 |
| InChI Key: | CVLZXPKGHMZZJI-GOEBONIOSA-N |