2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethan-1-one
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 7919-0005 |
| Compound Name: | 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 265.31 |
| Molecular Formula: | C12 H12 F N3 O S |
| Smiles: | CCc1nnc([nH]1)SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7577 |
| logD: | 1.4181 |
| logSw: | -2.4401 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.983 |
| InChI Key: | GACVIKXOYZABGD-UHFFFAOYSA-N |