N-[3-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(3,4-dimethoxyphenyl)methanimine
Chemical Structure Depiction of
N-[3-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(3,4-dimethoxyphenyl)methanimine
N-[3-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(3,4-dimethoxyphenyl)methanimine
Compound characteristics
| Compound ID: | K060-0019 |
| Compound Name: | N-[3-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(3,4-dimethoxyphenyl)methanimine |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | COc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.5147 |
| logD: | 2.5125 |
| logSw: | -2.5975 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.903 |
| InChI Key: | JZTRJKQDMGFYFU-UHFFFAOYSA-N |