2-{[2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Chemical Structure Depiction of
2-{[2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
2-{[2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 3254-1312 |
| Compound Name: | 2-{[2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid |
| Molecular Weight: | 487.54 |
| Molecular Formula: | C25 H21 N5 O4 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N/N=C/c1ccccc1C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3584 |
| logD: | 0.9389 |
| logSw: | -4.0956 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.038 |
| InChI Key: | HKZRNZATARNHIV-UHFFFAOYSA-N |