2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(4-fluorophenyl)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-(4-fluorophenyl)acetamide
2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | M451-2063 |
| Compound Name: | 2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C21 H18 F N5 O2 S |
| Smiles: | Cc1ccc(c(C)c1)SC1C2=NN(CC(Nc3ccc(cc3)F)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.678 |
| logD: | 3.6779 |
| logSw: | -3.8495 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.586 |
| InChI Key: | MGRUQNSVWRSYIC-UHFFFAOYSA-N |