2-{[2-(3-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[2-(3-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[2-(3-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G199-2001 |
| Compound Name: | 2-{[2-(3-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 479.87 |
| Molecular Formula: | C20 H13 Cl F3 N5 O2 S |
| Smiles: | C(C(Nc1cccc(c1)C(F)(F)F)=O)SC1=NC(c2cccc(c2)[Cl])=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4034 |
| logD: | 4.4032 |
| logSw: | -4.5343 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.082 |
| InChI Key: | ALLGLHAWVZCZAH-UHFFFAOYSA-N |