rel-(2R,7aS)-2-(4-fluorophenyl)-5-oxo-N-[2-(thiophen-2-yl)ethyl]hexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-2-(4-fluorophenyl)-5-oxo-N-[2-(thiophen-2-yl)ethyl]hexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-2-(4-fluorophenyl)-5-oxo-N-[2-(thiophen-2-yl)ethyl]hexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0647 |
| Compound Name: | rel-(2R,7aS)-2-(4-fluorophenyl)-5-oxo-N-[2-(thiophen-2-yl)ethyl]hexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 372.46 |
| Molecular Formula: | C20 H21 F N2 O2 S |
| Smiles: | C1C[C@H]2C[C@@](CN2C1=O)(C(NCCc1cccs1)=O)c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.378 |
| logD: | 2.378 |
| logSw: | -2.7594 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.786 |
| InChI Key: | SQRMFMGGAZDDAD-OXJNMPFZSA-N |