2-[8-(benzylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(5-fluoro-2-methylphenyl)acetamide
Chemical Structure Depiction of
2-[8-(benzylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(5-fluoro-2-methylphenyl)acetamide
2-[8-(benzylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(5-fluoro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | M451-3412 |
| Compound Name: | 2-[8-(benzylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(5-fluoro-2-methylphenyl)acetamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C21 H18 F N5 O2 S |
| Smiles: | Cc1ccc(cc1NC(CN1C(N2C=CN=C(C2=N1)SCc1ccccc1)=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 2.2864 |
| logD: | 2.2863 |
| logSw: | -2.7871 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.889 |
| InChI Key: | QZZTVVJNKATLJS-UHFFFAOYSA-N |