2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(4-nitrophenyl)ethylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(4-nitrophenyl)ethylidene]acetohydrazide
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(4-nitrophenyl)ethylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-1658 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(4-nitrophenyl)ethylidene]acetohydrazide |
| Molecular Weight: | 528.63 |
| Molecular Formula: | C28 H28 N6 O3 S |
| Smiles: | C/C(c1ccc(cc1)[N+]([O-])=O)=N/NC(CSc1nnc(c2ccc(cc2)C(C)(C)C)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5602 |
| logD: | 6.5599 |
| logSw: | -5.7363 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.756 |
| InChI Key: | BQOUEIWRKXYPFO-UHFFFAOYSA-N |