4-(2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzamide
Chemical Structure Depiction of
4-(2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzamide
4-(2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzamide
Compound characteristics
| Compound ID: | D509-0030 |
| Compound Name: | 4-(2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzamide |
| Molecular Weight: | 466.52 |
| Molecular Formula: | C22 H22 N6 O4 S |
| Smiles: | CC(Nc1c(C)cc(C)cc1C1C(NC(=NN=1)SCC(Nc1ccc(cc1)C(N)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8804 |
| logD: | 0.8737 |
| logSw: | -2.3565 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 123.87 |
| InChI Key: | QRDLKYGBIKRUNW-UHFFFAOYSA-N |