7-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-2-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Chemical Structure Depiction of
7-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-2-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
7-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-2-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Compound characteristics
| Compound ID: | F835-0571 |
| Compound Name: | 7-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-2-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C18 H12 N4 O4 S2 |
| Smiles: | C1Oc2ccc(cc2O1)C(CSC1=NNC(c2cc(c3cccs3)nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4355 |
| logD: | 3.4325 |
| logSw: | -3.8261 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.695 |
| InChI Key: | IGIFBJKDBWHDQF-UHFFFAOYSA-N |