N'-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-2-({5-[(4-iodo-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide
Chemical Structure Depiction of
N'-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-2-({5-[(4-iodo-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide
N'-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-2-({5-[(4-iodo-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide
Compound characteristics
| Compound ID: | Y508-1530 |
| Compound Name: | N'-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-2-({5-[(4-iodo-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide |
| Molecular Weight: | 677.91 |
| Molecular Formula: | C25 H21 Cl I N7 O4 S |
| Smiles: | Cc1cc(ccc1NCc1nnc(n1c1ccccc1)SCC(N/N=C/c1cc(cc(c1O)[N+]([O-])=O)[Cl])=O)I |
| Stereo: | ACHIRAL |
| logP: | 6.3205 |
| logD: | 5.4409 |
| logSw: | -5.6994 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.431 |
| InChI Key: | NUMFDEYEGDIUCJ-UHFFFAOYSA-N |