2-{[2-({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Chemical Structure Depiction of
2-{[2-({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
2-{[2-({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 3254-2005 |
| Compound Name: | 2-{[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/c1ccccc1C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5219 |
| logD: | 0.1023 |
| logSw: | -3.5295 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.291 |
| InChI Key: | DPXDXMSJYJHCLI-UHFFFAOYSA-N |