rel-(2R,7aS)-N-{2-[cyclohexyl(methyl)amino]ethyl}-2-(4-fluorophenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-N-{2-[cyclohexyl(methyl)amino]ethyl}-2-(4-fluorophenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-N-{2-[cyclohexyl(methyl)amino]ethyl}-2-(4-fluorophenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0682 |
| Compound Name: | rel-(2R,7aS)-N-{2-[cyclohexyl(methyl)amino]ethyl}-2-(4-fluorophenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 401.52 |
| Molecular Formula: | C23 H32 F N3 O2 |
| Smiles: | CN(CCNC([C@]1(C[C@@H]2CCC(N2C1)=O)c1ccc(cc1)F)=O)C1CCCCC1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4063 |
| logD: | 0.5157 |
| logSw: | -2.7525 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.806 |
| InChI Key: | UBYGPZCCAQJCAE-NZQKXSOJSA-N |