3-(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]propan-1-one
Chemical Structure Depiction of
3-(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]propan-1-one
3-(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]propan-1-one
Compound characteristics
| Compound ID: | S997-0779 |
| Compound Name: | 3-(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]propan-1-one |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C18 H29 N3 O5 S |
| Smiles: | Cc1c(CCC(N2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)COC)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3598 |
| logD: | 0.3598 |
| logSw: | -1.3617 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.191 |
| InChI Key: | RSEDNQIUMYGEQY-CRAIPNDOSA-N |