2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3-nitrophenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3-nitrophenyl)methylidene]acetohydrazide
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3-nitrophenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 2357-3616 |
| Compound Name: | 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3-nitrophenyl)methylidene]acetohydrazide |
| Molecular Weight: | 518.55 |
| Molecular Formula: | C25 H22 N6 O5 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCC(N/N=C/c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0878 |
| logD: | 4.0875 |
| logSw: | -4.3593 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.729 |
| InChI Key: | PXRCWXWQWMMTIC-UHFFFAOYSA-N |