2-{[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5,8-dimethylquinolin-4(1H)-one
Chemical Structure Depiction of
2-{[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5,8-dimethylquinolin-4(1H)-one
2-{[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5,8-dimethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-1406 |
| Compound Name: | 2-{[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5,8-dimethylquinolin-4(1H)-one |
| Molecular Weight: | 314.41 |
| Molecular Formula: | C16 H18 N4 O S |
| Smiles: | Cc1ccc(C)c2c1C(C=C(CSc1nnc(C)n1C)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.279 |
| logD: | 2.2452 |
| logSw: | -2.6413 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.642 |
| InChI Key: | FITFQYQFXYYZHS-UHFFFAOYSA-N |