2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-bromophenyl)acetamide
Chemical Structure Depiction of
2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-bromophenyl)acetamide
2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-bromophenyl)acetamide
Compound characteristics
| Compound ID: | J041-0166 |
| Compound Name: | 2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-bromophenyl)acetamide |
| Molecular Weight: | 474.33 |
| Molecular Formula: | C19 H16 Br N5 O3 S |
| Smiles: | CC(Nc1ccccc1C1C(NC(=NN=1)SCC(Nc1cccc(c1)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6196 |
| logD: | 2.4645 |
| logSw: | -3.3728 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.509 |
| InChI Key: | VMAQRMUCMBHWLC-UHFFFAOYSA-N |