2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)acetamide
2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | J041-0169 |
| Compound Name: | 2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 439.45 |
| Molecular Formula: | C20 H17 N5 O5 S |
| Smiles: | CC(Nc1ccccc1C1C(NC(=NN=1)SCC(Nc1ccc2c(c1)OCO2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6447 |
| logD: | 1.4895 |
| logSw: | -2.7383 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.625 |
| InChI Key: | ZHLSYQPLOQXSGS-UHFFFAOYSA-N |