N-(3,5-dimethylphenyl)-2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
N-(3,5-dimethylphenyl)-2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F989-0847 |
| Compound Name: | N-(3,5-dimethylphenyl)-2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 453.57 |
| Molecular Formula: | C26 H23 N5 O S |
| Smiles: | Cc1ccc(cc1)c1nnc2c(nc3ccccc3n12)SCC(Nc1cc(C)cc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9773 |
| logD: | 5.9773 |
| logSw: | -5.4798 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.658 |
| InChI Key: | KJBIMRYWHVYRPT-UHFFFAOYSA-N |