2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | D489-0773 |
| Compound Name: | 2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C24 H22 F N5 O S |
| Smiles: | CN(C)c1cccc(c1)c1nnc(n1c1ccccc1)SCC(Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0109 |
| logD: | 5.01 |
| logSw: | -4.6459 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.667 |
| InChI Key: | RKZCZJASXZDVKK-UHFFFAOYSA-N |