rel-(2R,7aS)-2-(2-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-2-(2-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-2-(2-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0523 |
| Compound Name: | rel-(2R,7aS)-2-(2-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 398.89 |
| Molecular Formula: | C22 H23 Cl N2 O3 |
| Smiles: | COc1cccc(CNC([C@]2(C[C@@H]3CCC(N3C2)=O)c2ccccc2[Cl])=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0556 |
| logD: | 3.0555 |
| logSw: | -3.6448 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.47 |
| InChI Key: | MVYAZLDVACHWED-KSFYIVLOSA-N |