rel-(3aR,7aR)-5-(2,5-dimethoxybenzene-1-sulfonyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aR)-5-(2,5-dimethoxybenzene-1-sulfonyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aR)-5-(2,5-dimethoxybenzene-1-sulfonyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | S997-1229 |
| Compound Name: | rel-(3aR,7aR)-5-(2,5-dimethoxybenzene-1-sulfonyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C18 H28 N2 O7 S2 |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)S(c1cc(ccc1OC)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9836 |
| logD: | 0.9836 |
| logSw: | -2.289 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 86.917 |
| InChI Key: | SJYQQRGLLNDYFM-KBXCAEBGSA-N |