4-benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
4-benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-9004 |
| Compound Name: | 4-benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 301.79 |
| Molecular Formula: | C15 H12 Cl N3 S |
| Smiles: | C(c1ccccc1)n1c(c2ccc(cc2)[Cl])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 4.1171 |
| logD: | 3.4866 |
| logSw: | -4.6634 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.7144 |
| InChI Key: | ZGCSGEGQJRCSDB-UHFFFAOYSA-N |