4-{[2-({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[2-({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
4-{[2-({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 3254-1989 |
| Compound Name: | 4-{[2-({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C21 H21 N5 O4 S |
| Smiles: | CCn1c(c2ccc(cc2)OC)nnc1SCC(N/N=C/c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.484 |
| logD: | -0.1228 |
| logSw: | -3.5576 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.291 |
| InChI Key: | BKTQXEWIBFYQSP-UHFFFAOYSA-N |