4-[({5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
4-[({5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-8905 |
| Compound Name: | 4-[({5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 403.67 |
| Molecular Formula: | C14 H9 Cl3 N4 O2 S |
| Smiles: | C(c1ccc(/C=N/n2cnnc2S)o1)Oc1c(cc(cc1[Cl])[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0844 |
| logD: | 4.0636 |
| logSw: | -4.3467 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.8 |
| InChI Key: | XWAIKWFIIJWCSR-UHFFFAOYSA-N |