2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]acetohydrazide
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-1581 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]acetohydrazide |
| Molecular Weight: | 545.66 |
| Molecular Formula: | C29 H31 N5 O4 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N/N=C/c1cc(c(c(c1)OC)O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4644 |
| logD: | 5.4582 |
| logSw: | -5.2706 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.826 |
| InChI Key: | WCIUURDENPBZBD-UHFFFAOYSA-N |