4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-yl]imino}methyl)-2-ethoxy-6-nitrophenol
Chemical Structure Depiction of
4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-yl]imino}methyl)-2-ethoxy-6-nitrophenol
4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-yl]imino}methyl)-2-ethoxy-6-nitrophenol
Compound characteristics
| Compound ID: | 8012-1359 |
| Compound Name: | 4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-yl]imino}methyl)-2-ethoxy-6-nitrophenol |
| Molecular Weight: | 371.35 |
| Molecular Formula: | C16 H17 N7 O4 |
| Smiles: | CCOc1cc(/C=N/n2cnnc2n2c(C)cc(C)n2)cc(c1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.591 |
| logD: | 0.9427 |
| logSw: | -1.4117 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.515 |
| InChI Key: | CCBATISDHDONLZ-UHFFFAOYSA-N |