2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(4-hydroxy-3-methoxyphenyl)ethylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(4-hydroxy-3-methoxyphenyl)ethylidene]acetohydrazide
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(4-hydroxy-3-methoxyphenyl)ethylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-1670 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(4-hydroxy-3-methoxyphenyl)ethylidene]acetohydrazide |
| Molecular Weight: | 529.66 |
| Molecular Formula: | C29 H31 N5 O3 S |
| Smiles: | C\C(c1ccc(c(c1)OC)O)=N/NC(CSc1nnc(c2ccc(cc2)C(C)(C)C)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8517 |
| logD: | 5.8506 |
| logSw: | -5.279 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.553 |
| InChI Key: | TYVGHKOFBIHUAT-UHFFFAOYSA-N |