2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[4-(propan-2-yl)phenyl]methylidene}acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[4-(propan-2-yl)phenyl]methylidene}acetohydrazide
2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[4-(propan-2-yl)phenyl]methylidene}acetohydrazide
Compound characteristics
| Compound ID: | 2357-3373 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[4-(propan-2-yl)phenyl]methylidene}acetohydrazide |
| Molecular Weight: | 512.47 |
| Molecular Formula: | C24 H26 Br N5 O S |
| Smiles: | CC(C)c1ccc(/C=N/NC(CSc2nnc(c3ccc(cc3)[Br])n2CC(C)=C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6158 |
| logD: | 6.6156 |
| logSw: | -5.6571 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.615 |
| InChI Key: | LUXYCWIGYLLLKM-UHFFFAOYSA-N |