[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2-methylpyrimidin-5-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2-methylpyrimidin-5-yl)methanone
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2-methylpyrimidin-5-yl)methanone
Compound characteristics
| Compound ID: | S858-1886 |
| Compound Name: | [rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2-methylpyrimidin-5-yl)methanone |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C15 H22 N4 O4 S |
| Smiles: | Cc1ncc(cn1)C(N1CC[C@H]2CN(C[C@]2(C1)CO)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -1.2482 |
| logD: | -1.2482 |
| logSw: | -1.3198 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.599 |
| InChI Key: | OGQBJTDUYZSVSQ-UKRRQHHQSA-N |