2-({[5-(3-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,8-dimethylquinolin-4(1H)-one
Chemical Structure Depiction of
2-({[5-(3-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,8-dimethylquinolin-4(1H)-one
2-({[5-(3-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,8-dimethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-1434 |
| Compound Name: | 2-({[5-(3-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,8-dimethylquinolin-4(1H)-one |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C21 H19 F N4 O S |
| Smiles: | Cc1ccc(C)c2c1C(C=C(CSc1nnc(c3cccc(c3)F)n1C)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4363 |
| logD: | 4.4026 |
| logSw: | -4.4147 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.593 |
| InChI Key: | ZVZAEVCZANTILO-UHFFFAOYSA-N |