rel-(3aR,7aR)-2-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-2-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-2-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0539 |
| Compound Name: | rel-(3aR,7aR)-2-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 299.35 |
| Molecular Formula: | C12 H17 N3 O4 S |
| Smiles: | [H][C@]12CC(NC[C@]2([H])CN(C1)S(c1c(C)noc1C)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | -0.7299 |
| logD: | -0.7299 |
| logSw: | -1.5649 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.096 |
| InChI Key: | FEGRUCCJYSJVFQ-ZJUUUORDSA-N |