2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chlorophenyl)butanamide
Chemical Structure Depiction of
2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chlorophenyl)butanamide
2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chlorophenyl)butanamide
Compound characteristics
| Compound ID: | F151-0275 |
| Compound Name: | 2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chlorophenyl)butanamide |
| Molecular Weight: | 457.94 |
| Molecular Formula: | C21 H20 Cl N5 O3 S |
| Smiles: | CCC(C(Nc1cccc(c1)[Cl])=O)SC1NC(C(c2ccccc2NC(C)=O)=NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6354 |
| logD: | 3.5735 |
| logSw: | -3.8961 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.723 |
| InChI Key: | XYQGNENBJJYVIS-KRWDZBQOSA-N |