5-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8012-5980 |
| Compound Name: | 5-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 331.82 |
| Molecular Formula: | C16 H14 Cl N3 O S |
| Smiles: | COc1ccccc1n1c(Cc2ccc(cc2)[Cl])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.3208 |
| logD: | 2.0615 |
| logSw: | -3.7042 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.763 |
| InChI Key: | BLVYZOALRSIBNT-UHFFFAOYSA-N |