2-{8-[(2,4-dimethylphenyl)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-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(3-fluoro-4-methylphenyl)acetamide
2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(3-fluoro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | M451-2090 |
| Compound Name: | 2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(3-fluoro-4-methylphenyl)acetamide |
| Molecular Weight: | 437.49 |
| Molecular Formula: | C22 H20 F N5 O2 S |
| Smiles: | Cc1ccc(c(C)c1)SC1C2=NN(CC(Nc3ccc(C)c(c3)F)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2987 |
| logD: | 4.2986 |
| logSw: | -4.2478 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.586 |
| InChI Key: | ZPUKXDQOVQKZQS-UHFFFAOYSA-N |