N'-[(2-chloro-5-nitrophenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Chemical Structure Depiction of
N'-[(2-chloro-5-nitrophenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
N'-[(2-chloro-5-nitrophenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Compound characteristics
| Compound ID: | 3254-2408 |
| Compound Name: | N'-[(2-chloro-5-nitrophenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide |
| Molecular Weight: | 583.02 |
| Molecular Formula: | C26 H23 Cl N6 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(N/N=C/c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8842 |
| logD: | 4.8821 |
| logSw: | -5.1112 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.446 |
| InChI Key: | KHJIEWXWNDXNDJ-UHFFFAOYSA-N |