2-({5-[(4-fluoroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylphenyl)ethan-1-one
Chemical Structure Depiction of
2-({5-[(4-fluoroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylphenyl)ethan-1-one
2-({5-[(4-fluoroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8013-7933 |
| Compound Name: | 2-({5-[(4-fluoroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C24 H21 F N4 O S |
| Smiles: | Cc1ccc(cc1)C(CSc1nnc(CNc2ccc(cc2)F)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6644 |
| logD: | 4.6644 |
| logSw: | -4.4109 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.442 |
| InChI Key: | TZDGKCJCQTUKRL-UHFFFAOYSA-N |