2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-tert-butylphenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-tert-butylphenyl)methylidene]acetohydrazide
2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-tert-butylphenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-2168 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-tert-butylphenyl)methylidene]acetohydrazide |
| Molecular Weight: | 548.5 |
| Molecular Formula: | C27 H26 Br N5 O S |
| Smiles: | CC(C)(C)c1ccc(/C=N/NC(CSc2nnc(c3ccc(cc3)[Br])n2c2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.1184 |
| logD: | 7.1182 |
| logSw: | -5.7759 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.086 |
| InChI Key: | KYBPMLQKVMJEEU-UHFFFAOYSA-N |