2-{[2-(3-methylphenyl)-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-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[2-(3-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G199-0267 |
| Compound Name: | 2-{[2-(3-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 459.45 |
| Molecular Formula: | C21 H16 F3 N5 O2 S |
| Smiles: | Cc1cccc(c1)C1=NC2=CC(NN2C(=N1)SCC(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1117 |
| logD: | 4.1114 |
| logSw: | -4.2506 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.082 |
| InChI Key: | JAJPMRIGJOSFMH-UHFFFAOYSA-N |