N-(2,5-difluorophenyl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,5-difluorophenyl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-(2,5-difluorophenyl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G199-3730 |
| Compound Name: | N-(2,5-difluorophenyl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 457.46 |
| Molecular Formula: | C21 H17 F2 N5 O3 S |
| Smiles: | CCOc1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCC(Nc1cc(ccc1F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2595 |
| logD: | 3.2535 |
| logSw: | -3.4987 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.508 |
| InChI Key: | SPFBFHIKDVTYOA-UHFFFAOYSA-N |