N-(2H-1,3-benzodioxol-5-yl)-2-{[9-(4-butoxyphenyl)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-butoxyphenyl)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-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F831-1012 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 516.58 |
| Molecular Formula: | C26 H24 N6 O4 S |
| Smiles: | CCCCOc1ccc(cc1)c1cc2c3nnc(n3ccn2n1)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4862 |
| logD: | 4.4412 |
| logSw: | -4.2396 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.991 |
| InChI Key: | POCHEZGHCFIDCO-UHFFFAOYSA-N |