4-[({5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
4-[({5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-8688 |
| Compound Name: | 4-[({5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 366.8 |
| Molecular Formula: | C15 H12 Cl F N4 O2 S |
| Smiles: | Cc1nnc(n1/N=C/c1ccc(COc2ccc(cc2[Cl])F)o1)S |
| Stereo: | ACHIRAL |
| logP: | 2.7624 |
| logD: | 2.2698 |
| logSw: | -3.3182 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.453 |
| InChI Key: | TZSZZDSXMDWKCK-UHFFFAOYSA-N |