N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | F512-0638 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide |
| Molecular Weight: | 413.4 |
| Molecular Formula: | C21 H20 F N3 O5 |
| Smiles: | [H]C(C(NCc1ccc2c(c1)OCO2)=O)N1CCN(Cc2ccc(cc2)F)C(C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3607 |
| logD: | 1.3607 |
| logSw: | -2.2707 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.87 |
| InChI Key: | ZRSBCJIIWGGIKQ-UHFFFAOYSA-N |