rel-(2R,7aS)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0661 |
| Compound Name: | rel-(2R,7aS)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C24 H27 F N2 O4 |
| Smiles: | COc1ccc(CCNC([C@]2(C[C@@H]3CCC(N3C2)=O)c2ccc(cc2)F)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9361 |
| logD: | 1.9361 |
| logSw: | -2.7148 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.029 |
| InChI Key: | YIQCHUPRTPIBIZ-YADARESESA-N |