rel-(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-phenylethyl)-5-[(pyridin-3-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-phenylethyl)-5-[(pyridin-3-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-phenylethyl)-5-[(pyridin-3-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | S839-0191 |
| Compound Name: | rel-(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-phenylethyl)-5-[(pyridin-3-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 403.53 |
| Molecular Formula: | C24 H29 N5 O |
| Smiles: | Cc1nc([C@@]23CN(CC[C@H]3CN(CCc3ccccc3)C2)Cc2cccnc2)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4241 |
| logD: | -0.623 |
| logSw: | -2.0067 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.385 |
| InChI Key: | QEFWVCHFSFARNQ-ISKFKSNPSA-N |