2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}-N-(propan-2-yl)acetamide
2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | F989-0908 |
| Compound Name: | 2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}-N-(propan-2-yl)acetamide |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C21 H21 N5 O S |
| Smiles: | CC(C)NC(CSc1c2nnc(c3ccc(C)cc3)n2c2ccccc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.044 |
| logD: | 4.044 |
| logSw: | -4.0579 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.226 |
| InChI Key: | JSSDLCDGRGQNEY-UHFFFAOYSA-N |