N-(2,5-dimethoxyphenyl)-2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-(2,5-dimethoxyphenyl)-2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G199-3173 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 455.47 |
| Molecular Formula: | C21 H18 F N5 O4 S |
| Smiles: | COc1ccc(c(c1)NC(CSC1=NC(c2ccccc2F)=NC2=CC(NN12)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.3282 |
| logD: | 2.3279 |
| logSw: | -3.1948 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.559 |
| InChI Key: | LNISAKQUADKPBO-UHFFFAOYSA-N |