rel-(6R,7aS)-6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-(3-methylphenyl)hexahydro-3H-pyrrolizin-3-one
Chemical Structure Depiction of
rel-(6R,7aS)-6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-(3-methylphenyl)hexahydro-3H-pyrrolizin-3-one
rel-(6R,7aS)-6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-(3-methylphenyl)hexahydro-3H-pyrrolizin-3-one
Compound characteristics
| Compound ID: | SC91-0849 |
| Compound Name: | rel-(6R,7aS)-6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-(3-methylphenyl)hexahydro-3H-pyrrolizin-3-one |
| Molecular Weight: | 431.58 |
| Molecular Formula: | C27 H33 N3 O2 |
| Smiles: | Cc1cccc(c1)[C@@]1(C[C@@H]2CCC(N2C1)=O)C(N1CCN(CC1)c1cc(C)ccc1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0132 |
| logD: | 4.0131 |
| logSw: | -4.1323 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.121 |
| InChI Key: | WQFPWSFDQBONHK-WNCULLNHSA-N |