rel-(2R,7aR)-N-(2,2-difluoroethyl)-2-(3-methylphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aR)-N-(2,2-difluoroethyl)-2-(3-methylphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aR)-N-(2,2-difluoroethyl)-2-(3-methylphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SD57-0054 |
| Compound Name: | rel-(2R,7aR)-N-(2,2-difluoroethyl)-2-(3-methylphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 322.35 |
| Molecular Formula: | C17 H20 F2 N2 O2 |
| Smiles: | Cc1cccc(c1)[C@]1(C[C@@H]2CCC(N2C1)=O)C(NCC(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2244 |
| logD: | 1.2238 |
| logSw: | -2.1806 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.198 |
| InChI Key: | BWQAVZHSBZPBJB-CXAGYDPISA-N |