[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](4-methoxy-2-methylphenyl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](4-methoxy-2-methylphenyl)methanone
[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](4-methoxy-2-methylphenyl)methanone
Compound characteristics
| Compound ID: | S997-0643 |
| Compound Name: | [rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](4-methoxy-2-methylphenyl)methanone |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C18 H26 N2 O5 S |
| Smiles: | Cc1cc(ccc1C(N1CC[C@]2(CN(C[C@H]2C1)S(C)(=O)=O)CO)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8628 |
| logD: | 0.8628 |
| logSw: | -2.3508 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.915 |
| InChI Key: | OCAALFUGZHJTDT-RDTXWAMCSA-N |