2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]propanehydrazide
Chemical Structure Depiction of
2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]propanehydrazide
2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]propanehydrazide
Compound characteristics
| Compound ID: | Y508-2858 |
| Compound Name: | 2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]propanehydrazide |
| Molecular Weight: | 581.49 |
| Molecular Formula: | C26 H25 Br N6 O3 S |
| Smiles: | CC(C(N/N=C/c1cc(cc(c1O)OC)[Br])=O)Sc1nnc(CNc2ccccc2)n1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0859 |
| logD: | 5.0804 |
| logSw: | -4.7194 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.892 |
| InChI Key: | NKOQXAMLVADULX-KRWDZBQOSA-N |