rel-(2R,7aS)-2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0569 |
| Compound Name: | rel-(2R,7aS)-2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 428.91 |
| Molecular Formula: | C23 H25 Cl N2 O4 |
| Smiles: | COc1ccc(CNC([C@]2(C[C@@H]3CCC(N3C2)=O)c2ccccc2[Cl])=O)cc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5732 |
| logD: | 2.5732 |
| logSw: | -3.5538 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.188 |
| InChI Key: | YOVBIEFWWWAWFV-QMHKHESXSA-N |