rel-(3aR,7aS)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylpropyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aS)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylpropyl)octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aS)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylpropyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | S839-0086 |
| Compound Name: | rel-(3aR,7aS)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylpropyl)octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 354.49 |
| Molecular Formula: | C21 H30 N4 O |
| Smiles: | CC(C)CN1CC[C@H]2CN(Cc3ccccc3)C[C@]2(C1)c1nc(C)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2433 |
| logD: | 0.4328 |
| logSw: | -3.1554 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.16 |
| InChI Key: | REKBOGKKYXNDPJ-TZIWHRDSSA-N |