5-(difluoromethyl)-4-[({5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(difluoromethyl)-4-[({5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
5-(difluoromethyl)-4-[({5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9890 |
| Compound Name: | 5-(difluoromethyl)-4-[({5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 453.68 |
| Molecular Formula: | C15 H9 Cl3 F2 N4 O2 S |
| Smiles: | C(c1ccc(/C=N/n2c(C(F)F)nnc2S)o1)Oc1c(cc(cc1[Cl])[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.488 |
| logD: | 3.9954 |
| logSw: | -4.5047 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.763 |
| InChI Key: | BPZPSTOJADPKAP-UHFFFAOYSA-N |