1-[rel-(3aR,7aS)-2-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-2-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-2-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1411 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C15 H23 N3 O5 S |
| Smiles: | CC(N1CC[C@]2(CN(C[C@H]2C1)S(c1c(C)noc1C)(=O)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.6196 |
| logD: | -0.6196 |
| logSw: | -1.1262 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.385 |
| InChI Key: | OCLKUUUFSBAIIG-UKRRQHHQSA-N |