2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,5-difluorophenyl)acetamide
Chemical Structure Depiction of
2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,5-difluorophenyl)acetamide
2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,5-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | M451-1779 |
| Compound Name: | 2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,5-difluorophenyl)acetamide |
| Molecular Weight: | 461.88 |
| Molecular Formula: | C20 H14 Cl F2 N5 O2 S |
| Smiles: | C(C(Nc1cc(ccc1F)F)=O)N1C(N2C=CN=C(C2=N1)SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1261 |
| logD: | 3.1232 |
| logSw: | -3.4806 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.889 |
| InChI Key: | HAXWSLBDHDXKMQ-UHFFFAOYSA-N |