N'-[(2-chloro-5-nitrophenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Chemical Structure Depiction of
N'-[(2-chloro-5-nitrophenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
N'-[(2-chloro-5-nitrophenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Compound characteristics
| Compound ID: | 3254-0573 |
| Compound Name: | N'-[(2-chloro-5-nitrophenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide |
| Molecular Weight: | 553 |
| Molecular Formula: | C25 H21 Cl N6 O5 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCC(N/N=C/c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0242 |
| logD: | 5.0221 |
| logSw: | -5.3243 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.729 |
| InChI Key: | JRBXXQDYUHLCAG-UHFFFAOYSA-N |