rel-(2R,7aS)-2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0552 |
| Compound Name: | rel-(2R,7aS)-2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 398.89 |
| Molecular Formula: | C22 H23 Cl N2 O3 |
| Smiles: | COc1ccccc1CNC([C@]1(C[C@@H]2CCC(N2C1)=O)c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1796 |
| logD: | 3.1795 |
| logSw: | -3.628 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.557 |
| InChI Key: | KCTBEGBPPFMUGB-KSFYIVLOSA-N |