[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](6-methoxypyridin-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](6-methoxypyridin-3-yl)methanone
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](6-methoxypyridin-3-yl)methanone
Compound characteristics
| Compound ID: | S996-0241 |
| Compound Name: | [rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](6-methoxypyridin-3-yl)methanone |
| Molecular Weight: | 369.44 |
| Molecular Formula: | C16 H23 N3 O5 S |
| Smiles: | COc1ccc(cn1)C(N1CC[C@@H]2CN(C[C@@]2(C1)CO)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.1815 |
| logD: | -0.1815 |
| logSw: | -1.8186 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.953 |
| InChI Key: | OFDWJQYRQQDEQH-CZUORRHYSA-N |