2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide
2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F151-0099 |
| Compound Name: | 2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide |
| Molecular Weight: | 457.94 |
| Molecular Formula: | C21 H20 Cl N5 O3 S |
| Smiles: | CC(Nc1ccc(C)cc1C1C(NC(=NN=1)SCC(Nc1cc(ccc1C)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5197 |
| logD: | 2.4855 |
| logSw: | -3.4203 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.811 |
| InChI Key: | DTOBVMBVSABTNQ-UHFFFAOYSA-N |