1-(3,4-dimethoxyphenyl)-N-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine
Chemical Structure Depiction of
1-(3,4-dimethoxyphenyl)-N-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine
1-(3,4-dimethoxyphenyl)-N-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine
Compound characteristics
| Compound ID: | K060-0020 |
| Compound Name: | 1-(3,4-dimethoxyphenyl)-N-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine |
| Molecular Weight: | 278.33 |
| Molecular Formula: | C12 H14 N4 O2 S |
| Smiles: | COc1ccc(/C=N/n2cnnc2SC)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.3083 |
| logD: | 1.3046 |
| logSw: | -2.1514 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.175 |
| InChI Key: | HBNUPNPYJAVUPX-UHFFFAOYSA-N |