3-methyl-N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Chemical Structure Depiction of
3-methyl-N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
3-methyl-N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | L784-0015 |
| Compound Name: | 3-methyl-N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C16 H17 N5 O2 S2 |
| Smiles: | CC(C)CC(Nc1nnc(SCC2C(Nc3ccccc3N=2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2295 |
| logD: | 3.2259 |
| logSw: | -3.6698 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.912 |
| InChI Key: | ATRHQTQWIKJGLJ-UHFFFAOYSA-N |