4-[({4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
4-[({4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6101 |
| Compound Name: | 4-[({4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 443.74 |
| Molecular Formula: | C17 H13 Cl3 N4 O2 S |
| Smiles: | COc1ccc(/C=N/n2cnnc2S)cc1COc1c(cc(cc1[Cl])[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.325 |
| logD: | 4.2816 |
| logSw: | -4.6111 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.419 |
| InChI Key: | CKOHUIPDZOROKC-UHFFFAOYSA-N |