rel-(2R,7aR)-2-(3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aR)-2-(3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aR)-2-(3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SD57-0065 |
| Compound Name: | rel-(2R,7aR)-2-(3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 398.55 |
| Molecular Formula: | C23 H34 N4 O2 |
| Smiles: | Cc1cccc(c1)[C@]1(C[C@@H]2CCC(N2C1)=O)C(NCCCN1CCN(C)CC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6862 |
| logD: | -0.5184 |
| logSw: | -1.9689 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.227 |
| InChI Key: | CQGQLGMMNGPFFX-NFBKMPQASA-N |