N'-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-({5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide
Chemical Structure Depiction of
N'-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-({5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide
N'-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-({5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide
Compound characteristics
| Compound ID: | Y508-2175 |
| Compound Name: | N'-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-({5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide |
| Molecular Weight: | 659.46 |
| Molecular Formula: | C25 H22 I N7 O5 S |
| Smiles: | COc1cc(cc(/C=N/NC(CSc2nnc(CNc3ccc(cc3)I)n2c2ccccc2)=O)c1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.839 |
| logD: | 4.0082 |
| logSw: | -4.4729 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 128.06 |
| InChI Key: | KNIJPADZBRLXHB-UHFFFAOYSA-N |