N'-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Chemical Structure Depiction of
N'-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
N'-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Compound characteristics
| Compound ID: | 3254-1553 |
| Compound Name: | N'-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide |
| Molecular Weight: | 594.53 |
| Molecular Formula: | C28 H28 Br N5 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N/N=C\c1cc(c(c(c1)[Br])O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3725 |
| logD: | 6.3237 |
| logSw: | -5.3875 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.196 |
| InChI Key: | LXJRNQNXXLIUFH-UHFFFAOYSA-N |