4-{[(3,4-dimethoxyphenyl)methylidene]amino}-5-ethyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{[(3,4-dimethoxyphenyl)methylidene]amino}-5-ethyl-4H-1,2,4-triazole-3-thiol
4-{[(3,4-dimethoxyphenyl)methylidene]amino}-5-ethyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8012-2839 |
| Compound Name: | 4-{[(3,4-dimethoxyphenyl)methylidene]amino}-5-ethyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 292.36 |
| Molecular Formula: | C13 H16 N4 O2 S |
| Smiles: | CCc1nnc(n1/N=C/c1ccc(c(c1)OC)OC)S |
| Stereo: | ACHIRAL |
| logP: | 1.4132 |
| logD: | 0.6673 |
| logSw: | -2.0226 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.587 |
| InChI Key: | YRERDDKUTQUEDF-UHFFFAOYSA-N |