1-[rel-(3aR,7aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-0902 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 321.42 |
| Molecular Formula: | C17 H27 N3 O3 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)Cc1c(C)noc1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7077 |
| logD: | -2.5319 |
| logSw: | -0.4638 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.715 |
| InChI Key: | DIYFTEGNONKQHY-NVXWUHKLSA-N |