2-{[4-(2-methylprop-2-en-1-yl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[4-(2-methylprop-2-en-1-yl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
2-{[4-(2-methylprop-2-en-1-yl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 2357-3417 |
| Compound Name: | 2-{[4-(2-methylprop-2-en-1-yl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide |
| Molecular Weight: | 526.57 |
| Molecular Formula: | C24 H26 N6 O6 S |
| Smiles: | CC(=C)Cn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCC(N/N=C/c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2458 |
| logD: | 4.2458 |
| logSw: | -4.3406 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.974 |
| InChI Key: | HMXVUVNZPIHAGT-UHFFFAOYSA-N |