rel-(3aR,7aR)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-(thiophene-2-sulfonyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aR)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-(thiophene-2-sulfonyl)octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aR)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-(thiophene-2-sulfonyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | S997-1225 |
| Compound Name: | rel-(3aR,7aR)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-(thiophene-2-sulfonyl)octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C14 H22 N2 O5 S3 |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)S(c1cccs1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7693 |
| logD: | 0.7693 |
| logSw: | -1.9802 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 72.761 |
| InChI Key: | ZZCJOCMRIIWYCM-GXTWGEPZSA-N |