2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-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-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(3-fluoro-4-methylphenyl)acetamide
2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(3-fluoro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | M451-1799 |
| Compound Name: | 2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(3-fluoro-4-methylphenyl)acetamide |
| Molecular Weight: | 457.91 |
| Molecular Formula: | C21 H17 Cl F N5 O2 S |
| Smiles: | Cc1ccc(cc1F)NC(CN1C(N2C=CN=C(C2=N1)SCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6085 |
| logD: | 3.6085 |
| logSw: | -3.9866 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.586 |
| InChI Key: | IGXDFQSNWRGWHM-UHFFFAOYSA-N |