2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(2,4-dichlorophenyl)ethylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(2,4-dichlorophenyl)ethylidene]acetohydrazide
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(2,4-dichlorophenyl)ethylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-1551 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(2,4-dichlorophenyl)ethylidene]acetohydrazide |
| Molecular Weight: | 552.53 |
| Molecular Formula: | C28 H27 Cl2 N5 O S |
| Smiles: | C\C(c1ccc(cc1[Cl])[Cl])=N/NC(CSc1nnc(c2ccc(cc2)C(C)(C)C)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8073 |
| logD: | 7.8048 |
| logSw: | -6.3666 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.374 |
| InChI Key: | PHQZIFGZOHWGII-UHFFFAOYSA-N |