ethyl 4-(2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G199-3165 |
| Compound Name: | ethyl 4-(2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 467.48 |
| Molecular Formula: | C22 H18 F N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1=NC(c2ccccc2F)=NC2=CC(NN12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2462 |
| logD: | 3.2462 |
| logSw: | -3.6279 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.836 |
| InChI Key: | SIWWPWVGZLVGKW-UHFFFAOYSA-N |