rel-(2R,7aS)-2-(4-fluorophenyl)-5-oxo-N-[(thiophen-3-yl)methyl]hexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-2-(4-fluorophenyl)-5-oxo-N-[(thiophen-3-yl)methyl]hexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-2-(4-fluorophenyl)-5-oxo-N-[(thiophen-3-yl)methyl]hexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0625 |
| Compound Name: | rel-(2R,7aS)-2-(4-fluorophenyl)-5-oxo-N-[(thiophen-3-yl)methyl]hexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 358.43 |
| Molecular Formula: | C19 H19 F N2 O2 S |
| Smiles: | C1C[C@H]2C[C@@](CN2C1=O)(C(NCc1ccsc1)=O)c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3124 |
| logD: | 2.3124 |
| logSw: | -2.7092 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.945 |
| InChI Key: | ABTUNXZKQIPILK-QFBILLFUSA-N |