4-(3-chloro-4-fluorophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(3-chloro-4-fluorophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol
4-(3-chloro-4-fluorophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8016-6229 |
| Compound Name: | 4-(3-chloro-4-fluorophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 356.81 |
| Molecular Formula: | C17 H10 Cl F N4 S |
| Smiles: | c1ccc2c(c1)ccc(c1nnc(n1c1ccc(c(c1)[Cl])F)S)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.13 |
| logD: | 2.9345 |
| logSw: | -4.396 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.788 |
| InChI Key: | TWXMSJDHIQCCAV-UHFFFAOYSA-N |