[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](4-methylpyridin-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](4-methylpyridin-3-yl)methanone
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](4-methylpyridin-3-yl)methanone
Compound characteristics
| Compound ID: | S858-1895 |
| Compound Name: | [rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](4-methylpyridin-3-yl)methanone |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C16 H23 N3 O4 S |
| Smiles: | Cc1ccncc1C(N1CC[C@H]2CN(C[C@]2(C1)CO)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.1799 |
| logD: | -0.1805 |
| logSw: | -1.7602 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.889 |
| InChI Key: | MBACDRITOGUVSI-CZUORRHYSA-N |