N-(5-chloropyridin-2-yl)-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}butanamide
Chemical Structure Depiction of
N-(5-chloropyridin-2-yl)-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}butanamide
N-(5-chloropyridin-2-yl)-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}butanamide
Compound characteristics
| Compound ID: | F512-0739 |
| Compound Name: | N-(5-chloropyridin-2-yl)-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}butanamide |
| Molecular Weight: | 418.85 |
| Molecular Formula: | C20 H20 Cl F N4 O3 |
| Smiles: | CCC(C(Nc1ccc(cn1)[Cl])=O)N1CCN(Cc2ccc(cc2)F)C(C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0179 |
| logD: | 2.995 |
| logSw: | -3.4129 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.442 |
| InChI Key: | CKNYRJLJNRCZRK-INIZCTEOSA-N |