rel-(3aR,7aR)-5-(4-fluoro-3-methylbenzene-1-sulfonyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aR)-5-(4-fluoro-3-methylbenzene-1-sulfonyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aR)-5-(4-fluoro-3-methylbenzene-1-sulfonyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | S997-1226 |
| Compound Name: | rel-(3aR,7aR)-5-(4-fluoro-3-methylbenzene-1-sulfonyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 420.52 |
| Molecular Formula: | C17 H25 F N2 O5 S2 |
| Smiles: | Cc1cc(ccc1F)S(N1CC[C@]2(CN(C[C@H]2C1)S(C)(=O)=O)COC)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6583 |
| logD: | 1.6583 |
| logSw: | -2.4658 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 71.743 |
| InChI Key: | CKOYSTJPHVZJAT-WMLDXEAASA-N |