N-(4-chloro-2-fluorophenyl)-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-chloro-2-fluorophenyl)-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L849-1686 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 456.93 |
| Molecular Formula: | C21 H18 Cl F N6 O S |
| Smiles: | Cn1c(c2cn(C)nc2c2ccccc2)nnc1SCC(Nc1ccc(cc1F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3544 |
| logD: | 3.3461 |
| logSw: | -3.9399 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.586 |
| InChI Key: | ORAZWDGWKQMAFD-UHFFFAOYSA-N |