2-bromo-4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol
Chemical Structure Depiction of
2-bromo-4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol
2-bromo-4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol
Compound characteristics
| Compound ID: | 4896-2725 |
| Compound Name: | 2-bromo-4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol |
| Molecular Weight: | 405.25 |
| Molecular Formula: | C16 H17 Br N6 O2 |
| Smiles: | Cc1cc(C)n(c2nnc(C)n2/N=C/c2cc(c(c(c2)[Br])O)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.37 |
| logD: | 1.3211 |
| logSw: | -1.2533 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.594 |
| InChI Key: | VQQISTCWQDWHDV-UHFFFAOYSA-N |