2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(4-hydroxy-3-methoxyphenyl)methylidene]propanehydrazide
Chemical Structure Depiction of
2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(4-hydroxy-3-methoxyphenyl)methylidene]propanehydrazide
2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(4-hydroxy-3-methoxyphenyl)methylidene]propanehydrazide
Compound characteristics
| Compound ID: | Y508-2908 |
| Compound Name: | 2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(4-hydroxy-3-methoxyphenyl)methylidene]propanehydrazide |
| Molecular Weight: | 537.04 |
| Molecular Formula: | C26 H25 Cl N6 O3 S |
| Smiles: | CC(C(N/N=C/c1ccc(c(c1)OC)O)=O)Sc1nnc(CNc2ccc(cc2)[Cl])n1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5508 |
| logD: | 4.5478 |
| logSw: | -4.7184 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.961 |
| InChI Key: | SEHLNGLWYAWBPL-KRWDZBQOSA-N |