6-fluoro-2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Chemical Structure Depiction of
6-fluoro-2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
6-fluoro-2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-2252 |
| Compound Name: | 6-fluoro-2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one |
| Molecular Weight: | 366.41 |
| Molecular Formula: | C19 H15 F N4 O S |
| Smiles: | Cn1c(c2ccccc2)nnc1SCC1=CC(c2cc(ccc2N1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8859 |
| logD: | 3.6628 |
| logSw: | -3.9731 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.846 |
| InChI Key: | VLOCLUIBWOQIKP-UHFFFAOYSA-N |