2-({4-ethyl-5-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-({4-ethyl-5-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
2-({4-ethyl-5-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | L849-0826 |
| Compound Name: | 2-({4-ethyl-5-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C22 H20 F2 N6 O S |
| Smiles: | CCn1c(c2cn(C)nc2c2ccc(cc2)F)nnc1SCC(Nc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2613 |
| logD: | 3.2612 |
| logSw: | -3.4603 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.501 |
| InChI Key: | QDKAPPOUDHKXPO-UHFFFAOYSA-N |