N'-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-2-({5-[(4-iodoanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanehydrazide
Chemical Structure Depiction of
N'-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-2-({5-[(4-iodoanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanehydrazide
N'-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-2-({5-[(4-iodoanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanehydrazide
Compound characteristics
| Compound ID: | Y508-3469 |
| Compound Name: | N'-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-2-({5-[(4-iodoanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanehydrazide |
| Molecular Weight: | 641.87 |
| Molecular Formula: | C22 H21 Cl I N7 O4 S |
| Smiles: | CC(C(N/N=C/c1cc(cc(c1O)[N+]([O-])=O)[Cl])=O)Sc1nnc(CNc2ccc(cc2)I)n1CC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9301 |
| logD: | 5.0505 |
| logSw: | -5.7385 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.849 |
| InChI Key: | YUQQSWIURJDCEH-ZDUSSCGKSA-N |