4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2,6-dimethoxyphenol
Chemical Structure Depiction of
4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2,6-dimethoxyphenol
4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2,6-dimethoxyphenol
Compound characteristics
| Compound ID: | 4896-2827 |
| Compound Name: | 4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2,6-dimethoxyphenol |
| Molecular Weight: | 356.38 |
| Molecular Formula: | C17 H20 N6 O3 |
| Smiles: | Cc1cc(C)n(c2nnc(C)n2/N=C/c2cc(c(c(c2)OC)O)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.462 |
| logD: | 0.455 |
| logSw: | -0.9867 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.224 |
| InChI Key: | JHMZBTSRVWCIIE-UHFFFAOYSA-N |