[(5-{2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetonitrile
Chemical Structure Depiction of
[(5-{2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetonitrile
[(5-{2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetonitrile
Compound characteristics
| Compound ID: | Y502-2954 |
| Compound Name: | [(5-{2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetonitrile |
| Molecular Weight: | 332.38 |
| Molecular Formula: | C14 H16 N6 O2 S |
| Smiles: | C\C(c1ccc(c(c1)OC)OC)=N/Nc1nnc([nH]1)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 0.8784 |
| logD: | 0.8514 |
| logSw: | -2.0761 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.328 |
| InChI Key: | JLKGWSYLQNWGNW-UHFFFAOYSA-N |