rel-(2R,7aS)-N-[(4-ethoxyphenyl)methyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-N-[(4-ethoxyphenyl)methyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-N-[(4-ethoxyphenyl)methyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0437 |
| Compound Name: | rel-(2R,7aS)-N-[(4-ethoxyphenyl)methyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C24 H28 N2 O4 |
| Smiles: | CCOc1ccc(CNC([C@]2(C[C@@H]3CCC(N3C2)=O)c2cccc(c2)OC)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6374 |
| logD: | 2.6374 |
| logSw: | -2.8902 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.594 |
| InChI Key: | SBHADGGWGOMFLV-YADARESESA-N |