2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2,4,6-trimethoxyphenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2,4,6-trimethoxyphenyl)methylidene]acetohydrazide
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2,4,6-trimethoxyphenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-0561 |
| Compound Name: | 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2,4,6-trimethoxyphenyl)methylidene]acetohydrazide |
| Molecular Weight: | 563.63 |
| Molecular Formula: | C28 H29 N5 O6 S |
| Smiles: | COc1cc(c(/C=N/NC(CSc2nnc(c3ccc(c(c3)OC)OC)n2c2ccccc2)=O)c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5285 |
| logD: | 4.5285 |
| logSw: | -4.3405 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.152 |
| InChI Key: | GAPAEVRDRIQEHT-UHFFFAOYSA-N |