2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,5-dibromo-2-hydroxyphenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,5-dibromo-2-hydroxyphenyl)methylidene]acetohydrazide
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,5-dibromo-2-hydroxyphenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-1566 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,5-dibromo-2-hydroxyphenyl)methylidene]acetohydrazide |
| Molecular Weight: | 643.4 |
| Molecular Formula: | C27 H25 Br2 N5 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N/N=C/c1cc(cc(c1O)[Br])[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 7.8607 |
| logD: | 7.8168 |
| logSw: | -5.5165 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.566 |
| InChI Key: | FFXQJCSNVJTMHI-UHFFFAOYSA-N |