4-{[2-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[2-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
4-{[2-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 3254-0599 |
| Compound Name: | 4-{[2-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid |
| Molecular Weight: | 491.95 |
| Molecular Formula: | C24 H18 Cl N5 O3 S |
| Smiles: | C(C(N/N=C/c1ccc(cc1)C(O)=O)=O)Sc1nnc(c2ccc(cc2)[Cl])n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9329 |
| logD: | 1.3261 |
| logSw: | -5.0982 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.495 |
| InChI Key: | FDPWHSOZKUACQG-UHFFFAOYSA-N |