2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]acetohydrazide
2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-2215 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]acetohydrazide |
| Molecular Weight: | 620.61 |
| Molecular Formula: | C31 H34 Br N5 O2 S |
| Smiles: | CC(C)(C)c1cc(/C=N/NC(CSc2nnc(c3ccc(cc3)[Br])n2c2ccccc2)=O)cc(c1O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 8.0152 |
| logD: | 8.0151 |
| logSw: | -5.5437 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.566 |
| InChI Key: | KZZMGBRKEULXFB-UHFFFAOYSA-N |