2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
Compound characteristics
| Compound ID: | 3254-1567 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide |
| Molecular Weight: | 537.61 |
| Molecular Formula: | C28 H26 F3 N5 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N/N=C/c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1572 |
| logD: | 7.157 |
| logSw: | -5.7972 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.086 |
| InChI Key: | YYXQEEKLCOQUNK-UHFFFAOYSA-N |