rel-(2R,7aS)-N-{2-[benzyl(ethyl)amino]ethyl}-2-(2-chlorophenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-N-{2-[benzyl(ethyl)amino]ethyl}-2-(2-chlorophenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-N-{2-[benzyl(ethyl)amino]ethyl}-2-(2-chlorophenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0499 |
| Compound Name: | rel-(2R,7aS)-N-{2-[benzyl(ethyl)amino]ethyl}-2-(2-chlorophenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 439.98 |
| Molecular Formula: | C25 H30 Cl N3 O2 |
| Smiles: | CCN(CCNC([C@]1(C[C@@H]2CCC(N2C1)=O)c1ccccc1[Cl])=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.183 |
| logD: | 2.1954 |
| logSw: | -3.7355 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.454 |
| InChI Key: | IXTJASOEKGPGRU-NBGIEHNGSA-N |