4-benzyl-3-(4-chlorophenyl)-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-benzyl-3-(4-chlorophenyl)-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4H-1,2,4-triazole
4-benzyl-3-(4-chlorophenyl)-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8018-3720 |
| Compound Name: | 4-benzyl-3-(4-chlorophenyl)-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 412.96 |
| Molecular Formula: | C20 H17 Cl N4 S2 |
| Smiles: | Cc1nc(CSc2nnc(c3ccc(cc3)[Cl])n2Cc2ccccc2)cs1 |
| Stereo: | ACHIRAL |
| logP: | 5.7811 |
| logD: | 5.7809 |
| logSw: | -6.1924 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.276 |
| InChI Key: | CUAYHAHRFRDQQF-UHFFFAOYSA-N |