2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | F831-0738 |
| Compound Name: | 2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 492.94 |
| Molecular Formula: | C23 H17 Cl N6 O3 S |
| Smiles: | C1COc2cc(ccc2O1)NC(CSc1nnc2c3cc(c4ccc(cc4)[Cl])nn3ccn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7881 |
| logD: | 2.7177 |
| logSw: | -3.625 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.281 |
| InChI Key: | AAWRYMKHWDRFIU-UHFFFAOYSA-N |