2-bromo-4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-ethoxyphenol
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-ethoxyphenol
2-bromo-4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-ethoxyphenol
Compound characteristics
| Compound ID: | 4896-3124 |
| 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-ethoxyphenol |
| Molecular Weight: | 419.28 |
| Molecular Formula: | C17 H19 Br N6 O2 |
| Smiles: | CCOc1cc(/C=N/n2c(C)nnc2n2c(C)cc(C)n2)cc(c1O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.0756 |
| logD: | 2.0492 |
| logSw: | -1.7085 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.173 |
| InChI Key: | RBDRIVJJQKBYEB-UHFFFAOYSA-N |