2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3-ethoxy-4-hydroxyphenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3-ethoxy-4-hydroxyphenyl)methylidene]acetohydrazide
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3-ethoxy-4-hydroxyphenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3253-3622 |
| Compound Name: | 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3-ethoxy-4-hydroxyphenyl)methylidene]acetohydrazide |
| Molecular Weight: | 533.61 |
| Molecular Formula: | C27 H27 N5 O5 S |
| Smiles: | CCOc1cc(/C=N/NC(CSc2nnc(c3ccc(c(c3)OC)OC)n2c2ccccc2)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 3.9799 |
| logD: | 3.9784 |
| logSw: | -3.7685 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.106 |
| InChI Key: | WBJIMRKTDURHIV-UHFFFAOYSA-N |