2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(2-ethoxyphenyl)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-(2-ethoxyphenyl)acetamide
2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(2-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | M451-2039 |
| Compound Name: | 2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(2-ethoxyphenyl)acetamide |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Smiles: | CCOc1ccccc1NC(CN1C(N2C=CN=C(C2=N1)Sc1ccc(C)cc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8235 |
| logD: | 3.8235 |
| logSw: | -3.8106 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.099 |
| InChI Key: | NKDIXXAQLKULSR-UHFFFAOYSA-N |