2-{[2-({[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Chemical Structure Depiction of
2-{[2-({[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
2-{[2-({[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 3254-1401 |
| Compound Name: | 2-{[2-({[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid |
| Molecular Weight: | 505.98 |
| Molecular Formula: | C25 H20 Cl N5 O3 S |
| Smiles: | Cc1ccc(cc1)n1c(c2ccc(cc2)[Cl])nnc1SCC(N/N=C/c1ccccc1C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5157 |
| logD: | 2.0962 |
| logSw: | -5.7122 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.495 |
| InChI Key: | JBXYFFPVRYHQBO-UHFFFAOYSA-N |