2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 2357-3679 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide |
| Molecular Weight: | 538.02 |
| Molecular Formula: | C26 H24 Cl N5 O4 S |
| Smiles: | COc1cc(c(cc1/C=N/NC(CSc1nnc(c2ccc(cc2)[Cl])n1c1ccccc1)=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8114 |
| logD: | 4.8114 |
| logSw: | -4.9741 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.978 |
| InChI Key: | KGMXQYVMSHBHJE-UHFFFAOYSA-N |