rel-(2R,7aS)-2-(4-fluorophenyl)-5-oxo-N-[(pyridin-4-yl)methyl]hexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-2-(4-fluorophenyl)-5-oxo-N-[(pyridin-4-yl)methyl]hexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-2-(4-fluorophenyl)-5-oxo-N-[(pyridin-4-yl)methyl]hexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0635 |
| Compound Name: | rel-(2R,7aS)-2-(4-fluorophenyl)-5-oxo-N-[(pyridin-4-yl)methyl]hexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 353.39 |
| Molecular Formula: | C20 H20 F N3 O2 |
| Smiles: | C1C[C@H]2C[C@@](CN2C1=O)(C(NCc1ccncc1)=O)c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1289 |
| logD: | 1.1255 |
| logSw: | -1.659 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.355 |
| InChI Key: | XYMMLUVKBPYRQN-FXAWDEMLSA-N |