2-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Chemical Structure Depiction of
2-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
2-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-0009 |
| Compound Name: | 2-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one |
| Molecular Weight: | 272.33 |
| Molecular Formula: | C13 H12 N4 O S |
| Smiles: | Cc1nnc([nH]1)SCC1=CC(c2ccccc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4326 |
| logD: | 1.0134 |
| logSw: | -2.4294 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.153 |
| InChI Key: | WGXLOVLEZCIZDJ-UHFFFAOYSA-N |