2-({[5-(3-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,7-dimethylquinolin-4(1H)-one
Chemical Structure Depiction of
2-({[5-(3-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,7-dimethylquinolin-4(1H)-one
2-({[5-(3-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,7-dimethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-1265 |
| Compound Name: | 2-({[5-(3-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,7-dimethylquinolin-4(1H)-one |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C21 H19 F N4 O S |
| Smiles: | Cc1cc(C)c2C(C=C(CSc3nnc(c4cccc(c4)F)n3C)Nc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7011 |
| logD: | 4.688 |
| logSw: | -4.5333 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.846 |
| InChI Key: | PSBYLIDMEOKEIL-UHFFFAOYSA-N |