2-({4-ethyl-5-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
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-phenylacetamide
2-({4-ethyl-5-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
Compound characteristics
| Compound ID: | L849-0857 |
| Compound Name: | 2-({4-ethyl-5-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C22 H21 F N6 O S |
| Smiles: | CCn1c(c2cn(C)nc2c2ccc(cc2)F)nnc1SCC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2895 |
| logD: | 3.2895 |
| logSw: | -3.6061 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.199 |
| InChI Key: | JPXMWNLTJRIEAB-UHFFFAOYSA-N |