2-{[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-fluoroquinolin-4(1H)-one
Chemical Structure Depiction of
2-{[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-fluoroquinolin-4(1H)-one
2-{[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-fluoroquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-2229 |
| Compound Name: | 2-{[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-fluoroquinolin-4(1H)-one |
| Molecular Weight: | 304.34 |
| Molecular Formula: | C14 H13 F N4 O S |
| Smiles: | Cc1nnc(n1C)SCC1=CC(c2cc(ccc2N1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9546 |
| logD: | 1.7315 |
| logSw: | -2.9051 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.894 |
| InChI Key: | RJWCJPICAPTEPA-UHFFFAOYSA-N |