1-(4-fluorophenyl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-fluorophenyl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-fluorophenyl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G786-1501 |
| Compound Name: | 1-(4-fluorophenyl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C21 H15 F N4 O S |
| Smiles: | C(C(c1ccc(cc1)F)=O)Sc1nnc(c2cccnc2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3417 |
| logD: | 3.3375 |
| logSw: | -3.5213 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.477 |
| InChI Key: | IPKHGPJGIRRKPL-UHFFFAOYSA-N |