N-(3-chloro-2-methylphenyl)-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}butanamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}butanamide
N-(3-chloro-2-methylphenyl)-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}butanamide
Compound characteristics
| Compound ID: | F512-0795 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}butanamide |
| Molecular Weight: | 431.89 |
| Molecular Formula: | C22 H23 Cl F N3 O3 |
| Smiles: | CCC(C(Nc1cccc(c1C)[Cl])=O)N1CCN(Cc2ccc(cc2)F)C(C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6897 |
| logD: | 3.6891 |
| logSw: | -3.8846 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.039 |
| InChI Key: | XKFDOKFNBFOMRJ-IBGZPJMESA-N |