2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(4-nitrophenyl)ethylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(4-nitrophenyl)ethylidene]acetohydrazide
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(4-nitrophenyl)ethylidene]acetohydrazide
Compound characteristics
| Compound ID: | 2357-3638 |
| Compound Name: | 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(4-nitrophenyl)ethylidene]acetohydrazide |
| Molecular Weight: | 532.58 |
| Molecular Formula: | C26 H24 N6 O5 S |
| Smiles: | C/C(c1ccc(cc1)[N+]([O-])=O)=N/NC(CSc1nnc(c2ccc(c(c2)OC)OC)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3881 |
| logD: | 4.3878 |
| logSw: | -4.3931 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.017 |
| InChI Key: | FNZXGACSUPYSMZ-UHFFFAOYSA-N |