2-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6-methylquinolin-4(1H)-one
Chemical Structure Depiction of
2-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6-methylquinolin-4(1H)-one
2-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6-methylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-0591 |
| Compound Name: | 2-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6-methylquinolin-4(1H)-one |
| Molecular Weight: | 352.41 |
| Molecular Formula: | C18 H16 N4 O2 S |
| Smiles: | Cc1ccc2c(c1)C(C=C(CSc1nnc(c3ccco3)n1C)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1215 |
| logD: | 3.1154 |
| logSw: | -3.3583 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.424 |
| InChI Key: | GUZPJRXATSOZEL-UHFFFAOYSA-N |