2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | G802-1121 |
| Compound Name: | 2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide |
| Molecular Weight: | 453.49 |
| Molecular Formula: | C22 H20 F N5 O3 S |
| Smiles: | CCOc1ccc(cc1)N1C=Cn2c(C1=O)nnc2SCC(Nc1ccc(C)c(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7546 |
| logD: | 2.7544 |
| logSw: | -3.1243 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.975 |
| InChI Key: | NNABVTDMXDEXJW-UHFFFAOYSA-N |