2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide
Chemical Structure Depiction of
2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide
2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide
Compound characteristics
| Compound ID: | D509-0041 |
| Compound Name: | 2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C23 H24 N6 O4 S |
| Smiles: | CC(Nc1ccc(cc1)NC(CSC1NC(C(c2cc(C)cc(C)c2NC(C)=O)=NN=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4358 |
| logD: | 1.429 |
| logSw: | -2.4629 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 113.073 |
| InChI Key: | BLAITNMFNNAWFR-UHFFFAOYSA-N |