5-[(4-chlorophenyl)methyl]-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-[(4-chlorophenyl)methyl]-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-[(4-chlorophenyl)methyl]-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8013-1990 |
| Compound Name: | 5-[(4-chlorophenyl)methyl]-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 315.82 |
| Molecular Formula: | C16 H14 Cl N3 S |
| Smiles: | Cc1ccccc1N1C(Cc2ccc(cc2)[Cl])=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.4629 |
| logD: | 4.3636 |
| logSw: | -4.5924 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.5282 |
| InChI Key: | SKKNQQQYZITNHY-UHFFFAOYSA-N |