N-(2H-1,3-benzodioxol-5-yl)-4-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}butanamide
N-(2H-1,3-benzodioxol-5-yl)-4-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}butanamide
Compound characteristics
| Compound ID: | G373-2165 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}butanamide |
| Molecular Weight: | 427.43 |
| Molecular Formula: | C22 H22 F N3 O5 |
| Smiles: | C(CC(Nc1ccc2c(c1)OCO2)=O)CN1CCN(Cc2ccc(cc2)F)C(C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.421 |
| logD: | 1.421 |
| logSw: | -2.2536 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.527 |
| InChI Key: | CQMKMUILGPPOOE-UHFFFAOYSA-N |