4-[(2-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]benzoic acid
Chemical Structure Depiction of
4-[(2-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]benzoic acid
4-[(2-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]benzoic acid
Compound characteristics
| Compound ID: | 3254-1859 |
| Compound Name: | 4-[(2-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]benzoic acid |
| Molecular Weight: | 409.47 |
| Molecular Formula: | C20 H19 N5 O3 S |
| Smiles: | CCn1c(c2ccccc2)nnc1SCC(N/N=C/c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3966 |
| logD: | -0.2102 |
| logSw: | -3.5547 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.748 |
| InChI Key: | YSWICMXOGLQWQH-UHFFFAOYSA-N |