4-{[(2-chlorophenyl)methylidene]amino}-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{[(2-chlorophenyl)methylidene]amino}-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
4-{[(2-chlorophenyl)methylidene]amino}-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-2514 |
| Compound Name: | 4-{[(2-chlorophenyl)methylidene]amino}-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 328.82 |
| Molecular Formula: | C16 H13 Cl N4 S |
| Smiles: | Cc1ccc(cc1)c1nnc(n1/N=C/c1ccccc1[Cl])S |
| Stereo: | ACHIRAL |
| logP: | 4.3219 |
| logD: | 3.3211 |
| logSw: | -4.5343 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.079 |
| InChI Key: | ARSNTVPNZSVQCJ-UHFFFAOYSA-N |