4-methylphenyl [(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetate
Chemical Structure Depiction of
4-methylphenyl [(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetate
4-methylphenyl [(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | F571-0002 |
| Compound Name: | 4-methylphenyl [(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetate |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C20 H16 N4 O3 S |
| Smiles: | Cc1ccc(cc1)OC(CSC1=NC(c2ccccc2)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3176 |
| logD: | 3.3176 |
| logSw: | -3.6955 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.987 |
| InChI Key: | OINFISYRZZKGBF-UHFFFAOYSA-N |