2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-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-(4-methylphenyl)acetamide
2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Compound characteristics
Compound ID: | L849-1761 |
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)acetamide |
Molecular Weight: | 418.52 |
Molecular Formula: | C22 H22 N6 O S |
Smiles: | Cc1ccc(cc1)NC(CSc1nnc(c2cn(C)nc2c2ccccc2)n1C)=O |
Stereo: | ACHIRAL |
logP: | 3.1559 |
logD: | 3.1559 |
logSw: | -3.4325 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.284 |
InChI Key: | FPTYIZPZPCFNJN-UHFFFAOYSA-N |