2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethan-1-one
2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8012-8485 |
| Compound Name: | 2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 404.46 |
| Molecular Formula: | C22 H17 F N4 O S |
| Smiles: | C(C(c1ccc(cc1)F)=O)Sc1nnc(Nc2ccccc2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5984 |
| logD: | 4.5984 |
| logSw: | -4.592 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.051 |
| InChI Key: | YDHOWUWBODKCPW-UHFFFAOYSA-N |