3-hydroxy-1-[rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one
Chemical Structure Depiction of
3-hydroxy-1-[rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one
3-hydroxy-1-[rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one
Compound characteristics
| Compound ID: | S839-0072 |
| Compound Name: | 3-hydroxy-1-[rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one |
| Molecular Weight: | 336.43 |
| Molecular Formula: | C17 H28 N4 O3 |
| Smiles: | CC(C)CN1CC[C@H]2CN(C[C@]2(C1)c1nc(C)no1)C(CCO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3978 |
| logD: | -2.2565 |
| logSw: | -0.6421 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.476 |
| InChI Key: | NYTSSKBMDPCEDJ-RHSMWYFYSA-N |