1-(4-fluorophenyl)-2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-fluorophenyl)-2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-fluorophenyl)-2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
Compound ID: | 7919-0017 |
Compound Name: | 1-(4-fluorophenyl)-2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
Molecular Weight: | 343.38 |
Molecular Formula: | C17 H14 F N3 O2 S |
Smiles: | COc1ccccc1c1nnc([nH]1)SCC(c1ccc(cc1)F)=O |
Stereo: | ACHIRAL |
logP: | 2.5737 |
logD: | 1.5041 |
logSw: | -3.0771 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.351 |
InChI Key: | ABSKYCIJLXYLPU-UHFFFAOYSA-N |