2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | L849-1837 |
| Compound Name: | 2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C22 H22 N6 O S |
| Smiles: | Cc1ccccc1NC(CSc1nnc(c2cn(C)nc2c2ccccc2)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5274 |
| logD: | 2.5274 |
| logSw: | -2.9403 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.586 |
| InChI Key: | LTBSLYJPEWWYJD-UHFFFAOYSA-N |