2-{[2-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G199-2080 |
| Compound Name: | 2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 489.43 |
| Molecular Formula: | C21 H14 F3 N5 O4 S |
| Smiles: | C1Oc2ccc(cc2O1)C1=NC2=CC(NN2C(=N1)SCC(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6631 |
| logD: | 3.6628 |
| logSw: | -4.1344 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.198 |
| InChI Key: | NFJFGDDZDNGVKJ-UHFFFAOYSA-N |