2-{[5-(4-methoxyphenyl)-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-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3253-5782 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C23 H22 N6 O2 S |
| Smiles: | Cn1cccc1\C=N/NC(CSc1nnc(c2ccc(cc2)OC)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2952 |
| logD: | 4.2951 |
| logSw: | -4.2586 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.528 |
| InChI Key: | BFSHQDFPSBMKTH-UHFFFAOYSA-N |