N-(3-bromophenyl)-2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-bromophenyl)-2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-bromophenyl)-2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y508-3208 |
| Compound Name: | N-(3-bromophenyl)-2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 479.4 |
| Molecular Formula: | C23 H19 Br N4 O S |
| Smiles: | Cc1ccccc1c1nnc(n1c1ccccc1)SCC(Nc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5574 |
| logD: | 5.5573 |
| logSw: | -5.4246 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.862 |
| InChI Key: | FYXZIRIZLUKROI-UHFFFAOYSA-N |