2-{[5-(2-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
2-{[5-(2-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 7919-0018 |
| Compound Name: | 2-{[5-(2-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 357.4 |
| Molecular Formula: | C18 H16 F N3 O2 S |
| Smiles: | CCOc1ccccc1c1nnc([nH]1)SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0276 |
| logD: | 1.958 |
| logSw: | -3.6165 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.931 |
| InChI Key: | SGIIJRGESSDVCB-UHFFFAOYSA-N |