2-{[4-(2,4-dimethylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[4-(2,4-dimethylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
2-{[4-(2,4-dimethylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | Y600-1506 |
| Compound Name: | 2-{[4-(2,4-dimethylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C22 H20 N4 O S2 |
| Smiles: | Cc1ccc(c(C)c1)n1c(c2cccs2)nnc1SCC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3905 |
| logD: | 5.3905 |
| logSw: | -5.3304 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.579 |
| InChI Key: | IPCBYQDEQORTLD-UHFFFAOYSA-N |