2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]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-[(4-methylphenyl)methyl]acetamide
2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L849-1710 |
| Compound Name: | 2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 432.55 |
| Molecular Formula: | C23 H24 N6 O S |
| Smiles: | Cc1ccc(CNC(CSc2nnc(c3cn(C)nc3c3ccccc3)n2C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8373 |
| logD: | 2.8373 |
| logSw: | -3.2777 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.606 |
| InChI Key: | RQLYPPYRUVWNBT-UHFFFAOYSA-N |