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 |