N-(3-chloro-4-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-(3-chloro-4-fluorophenyl)-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chloro-4-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: | L849-1676 |
| Compound Name: | N-(3-chloro-4-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(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4627 |
| logD: | 3.4545 |
| logSw: | -3.9917 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.284 |
| InChI Key: | HQBPSBADOQWBHX-UHFFFAOYSA-N |