5-ethyl-4-[({5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-ethyl-4-[({5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
5-ethyl-4-[({5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-8651 |
| Compound Name: | 5-ethyl-4-[({5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 431.73 |
| Molecular Formula: | C16 H13 Cl3 N4 O2 S |
| Smiles: | CCc1nnc(n1/N=C/c1ccc(COc2c(cc(cc2[Cl])[Cl])[Cl])o1)S |
| Stereo: | ACHIRAL |
| logP: | 4.7786 |
| logD: | 4.2859 |
| logSw: | -4.8514 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.739 |
| InChI Key: | DDYQWZFMVVLTKS-UHFFFAOYSA-N |