2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[1-(4-methylphenyl)ethylidene]propanehydrazide
Chemical Structure Depiction of
2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[1-(4-methylphenyl)ethylidene]propanehydrazide
2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[1-(4-methylphenyl)ethylidene]propanehydrazide
Compound characteristics
| Compound ID: | Y508-5268 |
| Compound Name: | 2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[1-(4-methylphenyl)ethylidene]propanehydrazide |
| Molecular Weight: | 519.07 |
| Molecular Formula: | C27 H27 Cl N6 O S |
| Smiles: | CC(C(N/N=C(\C)c1ccc(C)cc1)=O)Sc1nnc(CNc2ccc(cc2)[Cl])n1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7589 |
| logD: | 5.7583 |
| logSw: | -6.0152 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.07 |
| InChI Key: | OFCNCOXMVSMILA-FQEVSTJZSA-N |