2-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-methylquinolin-4(1H)-one
Chemical Structure Depiction of
2-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-methylquinolin-4(1H)-one
2-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-methylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-0517 |
| Compound Name: | 2-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6-methylquinolin-4(1H)-one |
| Molecular Weight: | 300.38 |
| Molecular Formula: | C15 H16 N4 O S |
| Smiles: | CCc1nnc([nH]1)SCC1=CC(c2cc(C)ccc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5586 |
| logD: | 2.2292 |
| logSw: | -3.0519 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.531 |
| InChI Key: | PNKIDRBWZVUUHD-UHFFFAOYSA-N |