2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-hydroxy-3-methoxyphenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-hydroxy-3-methoxyphenyl)methylidene]acetohydrazide
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-hydroxy-3-methoxyphenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 2219-0177 |
| Compound Name: | 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-hydroxy-3-methoxyphenyl)methylidene]acetohydrazide |
| Molecular Weight: | 519.58 |
| Molecular Formula: | C26 H25 N5 O5 S |
| Smiles: | COc1cc(/C=N/NC(CSc2nnc(c3ccc(c(c3)OC)OC)n2c2ccccc2)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 3.4612 |
| logD: | 3.4582 |
| logSw: | -3.5677 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.526 |
| InChI Key: | KCWGLHKLWQNVCR-UHFFFAOYSA-N |