[rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](phenyl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](phenyl)methanone
[rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](phenyl)methanone
Compound characteristics
| Compound ID: | S839-0128 |
| Compound Name: | [rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](phenyl)methanone |
| Molecular Weight: | 368.48 |
| Molecular Formula: | C21 H28 N4 O2 |
| Smiles: | CC(C)CN1CC[C@H]2CN(C[C@]2(C1)c1nc(C)no1)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5851 |
| logD: | -0.0113 |
| logSw: | -2.6618 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.076 |
| InChI Key: | HYFXCHFPOVGQBX-GHTZIAJQSA-N |