7-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-2-(4-fluorophenyl)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-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
7-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Compound characteristics
| Compound ID: | F835-0175 |
| Compound Name: | 7-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one |
| Molecular Weight: | 424.41 |
| Molecular Formula: | C20 H13 F N4 O4 S |
| Smiles: | C1Oc2ccc(cc2O1)C(CSC1=NNC(c2cc(c3ccc(cc3)F)nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8006 |
| logD: | 3.7977 |
| logSw: | -4.2097 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.677 |
| InChI Key: | AOWJCCHUVDGBBQ-UHFFFAOYSA-N |