rel-(6R,7aS)-6-(2-chlorophenyl)-6-(4-ethylpiperazine-1-carbonyl)hexahydro-3H-pyrrolizin-3-one
Chemical Structure Depiction of
rel-(6R,7aS)-6-(2-chlorophenyl)-6-(4-ethylpiperazine-1-carbonyl)hexahydro-3H-pyrrolizin-3-one
rel-(6R,7aS)-6-(2-chlorophenyl)-6-(4-ethylpiperazine-1-carbonyl)hexahydro-3H-pyrrolizin-3-one
Compound characteristics
| Compound ID: | SC91-0544 |
| Compound Name: | rel-(6R,7aS)-6-(2-chlorophenyl)-6-(4-ethylpiperazine-1-carbonyl)hexahydro-3H-pyrrolizin-3-one |
| Molecular Weight: | 375.9 |
| Molecular Formula: | C20 H26 Cl N3 O2 |
| Smiles: | CCN1CCN(CC1)C([C@]1(C[C@@H]2CCC(N2C1)=O)c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7637 |
| logD: | 1.219 |
| logSw: | -3.0213 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.698 |
| InChI Key: | VMWZSCZAHZPBNV-MGPUTAFESA-N |