N-[(4-fluorophenyl)methyl]-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[(4-fluorophenyl)methyl]-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0404 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C22 H18 F N5 O S |
| Smiles: | C(c1ccc(cc1)F)NC(CSc1nnc(c2ccncc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1273 |
| logD: | 3.1273 |
| logSw: | -3.0484 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.612 |
| InChI Key: | DSSKNRHLWJEWQR-UHFFFAOYSA-N |