4-[({5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
4-[({5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9827 |
| Compound Name: | 4-[({5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 398.82 |
| Molecular Formula: | C16 H13 Cl F2 N4 O2 S |
| Smiles: | Cc1cccc(c1OCc1ccc(/C=N/n2c(C(F)F)nnc2S)o1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6208 |
| logD: | 3.1282 |
| logSw: | -3.6849 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.763 |
| InChI Key: | CBAPYQIIFHMGNH-UHFFFAOYSA-N |