2-{[5-(4-ethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-ethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
2-{[5-(4-ethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 7919-0053 |
| Compound Name: | 2-{[5-(4-ethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 433.5 |
| Molecular Formula: | C24 H20 F N3 O2 S |
| Smiles: | CCOc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1912 |
| logD: | 5.1912 |
| logSw: | -4.9983 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.083 |
| InChI Key: | OTJMQDVFZNAPFG-UHFFFAOYSA-N |