2-(4-methylphenyl)-N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-(4-methylphenyl)-N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
2-(4-methylphenyl)-N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | L784-0058 |
| Compound Name: | 2-(4-methylphenyl)-N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C20 H17 N5 O2 S2 |
| Smiles: | Cc1ccc(CC(Nc2nnc(SCC3C(Nc4ccccc4N=3)=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7436 |
| logD: | 3.7374 |
| logSw: | -3.9771 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.64 |
| InChI Key: | JWKUPUGLPATYIY-UHFFFAOYSA-N |