1-[rel-(3aR,7aS)-5-ethyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-ethyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methylpropan-1-one
1-[rel-(3aR,7aS)-5-ethyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S839-0057 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-ethyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methylpropan-1-one |
| Molecular Weight: | 306.41 |
| Molecular Formula: | C16 H26 N4 O2 |
| Smiles: | CCN1CC[C@H]2CN(C[C@]2(C1)c1nc(C)no1)C(C(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4352 |
| logD: | -1.182 |
| logSw: | -1.2281 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.072 |
| InChI Key: | VFLSDNAEFMEMOW-XJKSGUPXSA-N |