2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-0787 |
| Compound Name: | 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 385.48 |
| Molecular Formula: | C17 H27 N3 O5 S |
| Smiles: | Cc1c(CC(N2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)COC)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2514 |
| logD: | 0.2514 |
| logSw: | -1.3243 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.191 |
| InChI Key: | YZJHPUNCECMVNB-RHSMWYFYSA-N |