(3,5-dimethyl-1,2-oxazol-4-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
(3,5-dimethyl-1,2-oxazol-4-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
(3,5-dimethyl-1,2-oxazol-4-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S858-1961 |
| Compound Name: | (3,5-dimethyl-1,2-oxazol-4-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C15 H23 N3 O5 S |
| Smiles: | Cc1c(C(N2CC[C@H]3CN(C[C@]3(C2)CO)S(C)(=O)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.4958 |
| logD: | -0.4958 |
| logSw: | -1.1335 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.41 |
| InChI Key: | OKTNWZSOMRYJDI-IUODEOHRSA-N |