3,5-dimethoxy-N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
3,5-dimethoxy-N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
3,5-dimethoxy-N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | L784-0021 |
| Compound Name: | 3,5-dimethoxy-N-(5-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C20 H17 N5 O4 S2 |
| Smiles: | COc1cc(cc(c1)OC)C(Nc1nnc(SCC2C(Nc3ccccc3N=2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7964 |
| logD: | 3.7935 |
| logSw: | -4.0706 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.941 |
| InChI Key: | CIGCCNJFNLKWFD-UHFFFAOYSA-N |