2-[8-(benzylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(3-fluoro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[8-(benzylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(3-fluoro-4-methylphenyl)acetamide
2-[8-(benzylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(3-fluoro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | M451-3410 |
| Compound Name: | 2-[8-(benzylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(3-fluoro-4-methylphenyl)acetamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C21 H18 F N5 O2 S |
| Smiles: | Cc1ccc(cc1F)NC(CN1C(N2C=CN=C(C2=N1)SCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0138 |
| logD: | 3.0138 |
| logSw: | -3.1785 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.586 |
| InChI Key: | ASKPFUFJVWCROK-UHFFFAOYSA-N |