4-ethyl-5-{[5-(4-methylphenyl)-2H-tetrazol-2-yl]methyl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-ethyl-5-{[5-(4-methylphenyl)-2H-tetrazol-2-yl]methyl}-4H-1,2,4-triazole-3-thiol
4-ethyl-5-{[5-(4-methylphenyl)-2H-tetrazol-2-yl]methyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | D047-0031 |
| Compound Name: | 4-ethyl-5-{[5-(4-methylphenyl)-2H-tetrazol-2-yl]methyl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 301.37 |
| Molecular Formula: | C13 H15 N7 S |
| Smiles: | CCn1c(Cn2nc(c3ccc(C)cc3)nn2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.8755 |
| logD: | 1.6647 |
| logSw: | -1.8194 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.062 |
| InChI Key: | GXTJEODCRXXHTG-UHFFFAOYSA-N |