1-(4-fluorophenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-fluorophenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-fluorophenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8016-1842 |
| Compound Name: | 1-(4-fluorophenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 328.37 |
| Molecular Formula: | C16 H13 F N4 O S |
| Smiles: | Cn1c(c2ccncc2)nnc1SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1221 |
| logD: | 2.1207 |
| logSw: | -2.3138 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.726 |
| InChI Key: | VOUSQJGEZBVQAT-UHFFFAOYSA-N |