2-methyl-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
2-methyl-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
2-methyl-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: | S839-0058 |
| Compound Name: | 2-methyl-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: | 334.46 |
| Molecular Formula: | C18 H30 N4 O2 |
| Smiles: | CC(C)CN1CC[C@H]2CN(C[C@]2(C1)c1nc(C)no1)C(C(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3218 |
| logD: | -0.3325 |
| logSw: | -2.0461 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.347 |
| InChI Key: | JNPVEBAJHVDFEI-MAUKXSAKSA-N |