N-(2,3-dihydro-1,4-benzodioxin-6-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-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: | F831-0514 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C24 H20 N6 O3 S |
| Smiles: | Cc1ccc(cc1)c1cc2c3nnc(n3ccn2n1)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6167 |
| logD: | 2.3186 |
| logSw: | -3.0556 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.281 |
| InChI Key: | WJAFHLZDESWWMD-UHFFFAOYSA-N |