2-{[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-fluoroquinolin-4(1H)-one
Chemical Structure Depiction of
2-{[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-fluoroquinolin-4(1H)-one
2-{[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-fluoroquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-2239 |
| Compound Name: | 2-{[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-fluoroquinolin-4(1H)-one |
| Molecular Weight: | 346.42 |
| Molecular Formula: | C17 H19 F N4 O S |
| Smiles: | CCCCc1nnc(n1C)SCC1=CC(c2cc(ccc2N1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5214 |
| logD: | 3.2983 |
| logSw: | -3.8334 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.093 |
| InChI Key: | KJZBGFSKWFSTAD-UHFFFAOYSA-N |