N-(2H-1,3-benzodioxol-5-yl)-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | F512-0680 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide |
| Molecular Weight: | 399.38 |
| Molecular Formula: | C20 H18 F N3 O5 |
| Smiles: | [H]C(C(Nc1ccc2c(c1)OCO2)=O)N1CCN(Cc2ccc(cc2)F)C(C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7029 |
| logD: | 1.7029 |
| logSw: | -2.4495 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.548 |
| InChI Key: | IURRMYQWTWWSIN-UHFFFAOYSA-N |