2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,4-dimethoxyphenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,4-dimethoxyphenyl)methylidene]acetohydrazide
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,4-dimethoxyphenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-1644 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,4-dimethoxyphenyl)methylidene]acetohydrazide |
| Molecular Weight: | 529.66 |
| Molecular Formula: | C29 H31 N5 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N/N=C/c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.05 |
| logD: | 6.0499 |
| logSw: | -5.5512 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.347 |
| InChI Key: | ULUZZHJYCHDDID-UHFFFAOYSA-N |