2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-methylphenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-methylphenyl)methylidene]acetohydrazide
2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-methylphenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | IB01-3028 |
| Compound Name: | 2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-methylphenyl)methylidene]acetohydrazide |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C26 H25 N5 O2 S |
| Smiles: | Cc1ccc(cc1)c1nnc(n1c1ccc(cc1)OC)SCC(N/N=C/c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.72 |
| logD: | 5.72 |
| logSw: | -6.59 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 135.48 |
| InChI Key: | PKFDLMQDHRYUJJ-UHFFFAOYSA-N |