4-[({3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
4-[({3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6014 |
| Compound Name: | 4-[({3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 453.74 |
| Molecular Formula: | C17 H14 Br Cl N4 O2 S |
| Smiles: | COc1ccc(/C=N/n2cnnc2S)cc1COc1ccc(cc1[Cl])[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.6069 |
| logD: | 3.5635 |
| logSw: | -3.8289 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.332 |
| InChI Key: | QZIZNHQPLMTZNZ-UHFFFAOYSA-N |