N-(2H-1,3-benzodioxol-5-yl)-2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F831-0513 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 458.5 |
| Molecular Formula: | C23 H18 N6 O3 S |
| Smiles: | Cc1ccc(cc1)c1cc2c3nnc(n3ccn2n1)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4773 |
| logD: | 3.1791 |
| logSw: | -3.6778 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.573 |
| InChI Key: | WAGKLLCIGWWYBN-UHFFFAOYSA-N |