{[7-(3,4-difluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[7-(3,4-difluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetonitrile
{[7-(3,4-difluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | G802-1026 |
| Compound Name: | {[7-(3,4-difluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 319.29 |
| Molecular Formula: | C13 H7 F2 N5 O S |
| Smiles: | C(C#N)Sc1nnc2C(N(C=Cn12)c1ccc(c(c1)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7075 |
| logD: | 0.7075 |
| logSw: | -1.9048 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.466 |
| InChI Key: | RHXOUBKUQUDVDG-UHFFFAOYSA-N |