rel-(2R,7aS)-2-(2-chlorophenyl)-5-oxo-N-(2,2,2-trifluoroethyl)hexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-2-(2-chlorophenyl)-5-oxo-N-(2,2,2-trifluoroethyl)hexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-2-(2-chlorophenyl)-5-oxo-N-(2,2,2-trifluoroethyl)hexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0503 |
| Compound Name: | rel-(2R,7aS)-2-(2-chlorophenyl)-5-oxo-N-(2,2,2-trifluoroethyl)hexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 360.76 |
| Molecular Formula: | C16 H16 Cl F3 N2 O2 |
| Smiles: | C1C[C@H]2C[C@@](CN2C1=O)(C(NCC(F)(F)F)=O)c1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3538 |
| logD: | 2.3243 |
| logSw: | -3.4283 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.198 |
| InChI Key: | RQOXSKWUMJISSX-ZUZCIYMTSA-N |