4-{[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
4-{[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 3254-1559 |
| Compound Name: | 4-{[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid |
| Molecular Weight: | 513.62 |
| Molecular Formula: | C28 H27 N5 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N/N=C/c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1327 |
| logD: | 2.5259 |
| logSw: | -5.5102 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.495 |
| InChI Key: | IFTPTSSUMXBXIB-UHFFFAOYSA-N |