N-(2H-1,3-benzodioxol-5-yl)-2-{[9-(4-chlorophenyl)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-chlorophenyl)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-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F831-0737 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 478.92 |
| Molecular Formula: | C22 H15 Cl N6 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSc1nnc2c3cc(c4ccc(cc4)[Cl])nn3ccn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6486 |
| logD: | 3.5783 |
| logSw: | -4.2477 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.573 |
| InChI Key: | NVNAXMLBOJISDI-UHFFFAOYSA-N |