2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-1649 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide |
| Molecular Weight: | 472.61 |
| Molecular Formula: | C26 H28 N6 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N/N=C/c1cccn1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1073 |
| logD: | 6.1072 |
| logSw: | -5.5763 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.984 |
| InChI Key: | SSNLBASLTFNUFF-UHFFFAOYSA-N |