[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](5-methyl-1,2-oxazol-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](5-methyl-1,2-oxazol-3-yl)methanone
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](5-methyl-1,2-oxazol-3-yl)methanone
Compound characteristics
| Compound ID: | S996-0206 |
| Compound Name: | [rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](5-methyl-1,2-oxazol-3-yl)methanone |
| Molecular Weight: | 343.4 |
| Molecular Formula: | C14 H21 N3 O5 S |
| Smiles: | Cc1cc(C(N2CC[C@@H]3CN(C[C@@]3(C2)CO)S(C)(=O)=O)=O)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0766 |
| logD: | -0.0766 |
| logSw: | -1.4258 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.6 |
| InChI Key: | DGPYKQFLCDVKJK-BXUZGUMPSA-N |