rel-(6R,7aS)-6-(3-methylphenyl)-6-[4-(propan-2-yl)piperazine-1-carbonyl]hexahydro-3H-pyrrolizin-3-one
Chemical Structure Depiction of
rel-(6R,7aS)-6-(3-methylphenyl)-6-[4-(propan-2-yl)piperazine-1-carbonyl]hexahydro-3H-pyrrolizin-3-one
rel-(6R,7aS)-6-(3-methylphenyl)-6-[4-(propan-2-yl)piperazine-1-carbonyl]hexahydro-3H-pyrrolizin-3-one
Compound characteristics
| Compound ID: | SC91-0862 |
| Compound Name: | rel-(6R,7aS)-6-(3-methylphenyl)-6-[4-(propan-2-yl)piperazine-1-carbonyl]hexahydro-3H-pyrrolizin-3-one |
| Molecular Weight: | 369.51 |
| Molecular Formula: | C22 H31 N3 O2 |
| Smiles: | CC(C)N1CCN(CC1)C([C@]1(C[C@@H]2CCC(N2C1)=O)c1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8739 |
| logD: | 1.0432 |
| logSw: | -2.2822 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.026 |
| InChI Key: | KYMQQLBIELQEKP-SIKLNZKXSA-N |