4-[({3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
4-[({3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9916 |
| Compound Name: | 4-[({3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 443.27 |
| Molecular Formula: | C15 H13 Br F2 N6 O S |
| Smiles: | COc1ccc(/C=N/n2c(C(F)F)nnc2S)cc1Cn1cc(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.0756 |
| logD: | 1.3297 |
| logSw: | -2.4645 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.486 |
| InChI Key: | QLAUDLFAIKMEKH-UHFFFAOYSA-N |