2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2-chlorophenyl)butanamide
Chemical Structure Depiction of
2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2-chlorophenyl)butanamide
2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2-chlorophenyl)butanamide
Compound characteristics
| Compound ID: | J041-0077 |
| Compound Name: | 2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2-chlorophenyl)butanamide |
| Molecular Weight: | 471.96 |
| Molecular Formula: | C22 H22 Cl N5 O3 S |
| Smiles: | CCC(C(Nc1ccccc1[Cl])=O)SC1NC(C(c2cccc(C)c2NC(C)=O)=NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2633 |
| logD: | 3.2508 |
| logSw: | -3.6423 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.327 |
| InChI Key: | GTGXWVZEEQYPGV-KRWDZBQOSA-N |