rel-(2R,7aS)-N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
Compound ID: | SC91-0683 |
Compound Name: | rel-(2R,7aS)-N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
Molecular Weight: | 396.46 |
Molecular Formula: | C23 H25 F N2 O3 |
Smiles: | CCOc1ccc(CNC([C@]2(C[C@@H]3CCC(N3C2)=O)c2ccc(cc2)F)=O)cc1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 2.8544 |
logD: | 2.8544 |
logSw: | -3.1654 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.05 |
InChI Key: | JKZVAKMXVATWQE-WMZHIEFXSA-N |