2-{[5-(4-chlorophenyl)-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-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3253-3716 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide |
| Molecular Weight: | 450.95 |
| Molecular Formula: | C22 H19 Cl N6 O S |
| Smiles: | Cn1cccc1/C=N/NC(CSc1nnc(c2ccc(cc2)[Cl])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9075 |
| logD: | 4.9074 |
| logSw: | -5.1033 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.984 |
| InChI Key: | ZFVHKUBHRTXPHZ-UHFFFAOYSA-N |