rel-(2R,7aS)-N-{3-[benzyl(ethyl)amino]propyl}-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-N-{3-[benzyl(ethyl)amino]propyl}-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-N-{3-[benzyl(ethyl)amino]propyl}-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0406 |
| Compound Name: | rel-(2R,7aS)-N-{3-[benzyl(ethyl)amino]propyl}-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C27 H35 N3 O3 |
| Smiles: | CCN(CCCNC([C@]1(C[C@@H]2CCC(N2C1)=O)c1cccc(c1)OC)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6164 |
| logD: | 0.9695 |
| logSw: | -2.9414 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.998 |
| InChI Key: | ICIJKLAVRFBEMU-WNCULLNHSA-N |