5,7-dimethyl-2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Chemical Structure Depiction of
5,7-dimethyl-2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
5,7-dimethyl-2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-1260 |
| Compound Name: | 5,7-dimethyl-2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one |
| Molecular Weight: | 376.48 |
| Molecular Formula: | C21 H20 N4 O S |
| Smiles: | Cc1cc(C)c2C(C=C(CSc3nnc(c4ccccc4)n3C)Nc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4751 |
| logD: | 4.4619 |
| logSw: | -4.3617 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.846 |
| InChI Key: | ZGWOWEUETNVCFL-UHFFFAOYSA-N |