2-{[4-(2,3-dimethylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(2,3-dimethylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
2-{[4-(2,3-dimethylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G786-1529 |
| Compound Name: | 2-{[4-(2,3-dimethylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C22 H18 F N3 O S2 |
| Smiles: | Cc1cccc(c1C)n1c(c2cccs2)nnc1SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5333 |
| logD: | 5.5325 |
| logSw: | -5.3811 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.677 |
| InChI Key: | WQHBDQHASKCMJN-UHFFFAOYSA-N |