4-[({5-[(2-chlorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({5-[(2-chlorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
4-[({5-[(2-chlorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-8674 |
| Compound Name: | 4-[({5-[(2-chlorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 400.84 |
| Molecular Formula: | C18 H13 Cl N4 O3 S |
| Smiles: | C(c1ccc(/C=N/n2c(c3ccco3)nnc2S)o1)Oc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6441 |
| logD: | 3.3495 |
| logSw: | -3.7816 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.983 |
| InChI Key: | RSTPKOMXRXIVIE-UHFFFAOYSA-N |