2-{[2-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Chemical Structure Depiction of
2-{[2-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
2-{[2-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Compound characteristics
Compound ID: | 3254-0613 |
Compound Name: | 2-{[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/c1ccccc1C(O)=O)=O)Sc1nnc(c2ccc(cc2)[Cl])n1c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 4.9708 |
logD: | 1.5512 |
logSw: | -4.9359 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 88.495 |
InChI Key: | JSIJYXBVPSFTOQ-UHFFFAOYSA-N |