2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-propoxyphenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-propoxyphenyl)methylidene]acetohydrazide
2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-propoxyphenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | IB09-0210 |
| Compound Name: | 2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-propoxyphenyl)methylidene]acetohydrazide |
| Molecular Weight: | 501.61 |
| Molecular Formula: | C27 H27 N5 O3 S |
| Smiles: | CCCOc1ccc(/C=N/NC(CSc2nnc(c3ccccc3)n2c2ccc(cc2)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.45 |
| logD: | 5.45 |
| logSw: | -6.19 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 155.9 |
| InChI Key: | DJNWKVHZYQPRCW-UHFFFAOYSA-N |