rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,5-bis[(pyridin-3-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,5-bis[(pyridin-3-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,5-bis[(pyridin-3-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | S839-0121 |
| Compound Name: | rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,5-bis[(pyridin-3-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 390.49 |
| Molecular Formula: | C22 H26 N6 O |
| Smiles: | Cc1nc([C@@]23CN(CC[C@H]3CN(Cc3cccnc3)C2)Cc2cccnc2)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8876 |
| logD: | -1.22 |
| logSw: | -0.4974 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.924 |
| InChI Key: | QCCVYYJPDSIMPE-UNMCSNQZSA-N |