{[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetonitrile
{[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | F835-0134 |
| Compound Name: | {[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 301.3 |
| Molecular Formula: | C13 H8 F N5 O S |
| Smiles: | C(C#N)SC1=NNC(c2cc(c3ccc(cc3)F)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1044 |
| logD: | 2.1016 |
| logSw: | -2.8248 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.078 |
| InChI Key: | XZVODLMVKJUPJO-UHFFFAOYSA-N |