2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Compound characteristics
Compound ID: | G199-2248 |
Compound Name: | 2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-fluorophenyl)acetamide |
Molecular Weight: | 439.47 |
Molecular Formula: | C21 H18 F N5 O3 S |
Smiles: | CCOc1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCC(Nc1ccccc1F)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.8723 |
logD: | 2.8722 |
logSw: | -3.4117 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.508 |
InChI Key: | VNDZQXCEDVEDKV-UHFFFAOYSA-N |