2,6-dimethoxy-4-{[2-({[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenyl acetate
Chemical Structure Depiction of
2,6-dimethoxy-4-{[2-({[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenyl acetate
2,6-dimethoxy-4-{[2-({[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 3253-7838 |
| Compound Name: | 2,6-dimethoxy-4-{[2-({[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenyl acetate |
| Molecular Weight: | 545.62 |
| Molecular Formula: | C28 H27 N5 O5 S |
| Smiles: | CC(=O)Oc1c(cc(/C=N/NC(CSc2nnc(c3ccccc3)n2c2ccc(C)cc2)=O)cc1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5108 |
| logD: | 4.5107 |
| logSw: | -4.3389 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.272 |
| InChI Key: | GJRBGUIYWBTJEM-UHFFFAOYSA-N |