4-[({3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
4-[({3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9920 |
| Compound Name: | 4-[({3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 424.85 |
| Molecular Formula: | C18 H15 Cl F2 N4 O2 S |
| Smiles: | COc1ccc(/C=N/n2c(C(F)F)nnc2S)cc1COc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6398 |
| logD: | 2.8939 |
| logSw: | -4.1409 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.208 |
| InChI Key: | XJYHFLPFEWVSPI-UHFFFAOYSA-N |