N-(2H-1,3-benzodioxol-5-yl)-2-[(9-phenylpyrazolo[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-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F831-0065 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 444.47 |
| Molecular Formula: | C22 H16 N6 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSc1nnc2c3cc(c4ccccc4)nn3ccn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9488 |
| logD: | 2.8785 |
| logSw: | -3.4175 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.573 |
| InChI Key: | QTQNPIQVEXICNO-UHFFFAOYSA-N |