N-(3-chloro-4-fluorophenyl)-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-(3-chloro-4-fluorophenyl)-2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G199-3186 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 447.85 |
| Molecular Formula: | C19 H12 Cl F2 N5 O2 S |
| Smiles: | C(C(Nc1ccc(c(c1)[Cl])F)=O)SC1=NC(c2ccccc2F)=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.375 |
| logD: | 3.3701 |
| logSw: | -3.9503 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.082 |
| InChI Key: | STDRBJBIWDXSQN-UHFFFAOYSA-N |