4-methoxyphenyl [(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetate
Chemical Structure Depiction of
4-methoxyphenyl [(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetate
4-methoxyphenyl [(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | F571-0017 |
| Compound Name: | 4-methoxyphenyl [(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetate |
| Molecular Weight: | 408.43 |
| Molecular Formula: | C20 H16 N4 O4 S |
| Smiles: | COc1ccc(cc1)OC(CSC1=NC(c2ccccc2)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8766 |
| logD: | 2.8766 |
| logSw: | -3.5241 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.531 |
| InChI Key: | JSKCFJUBUHGCRJ-UHFFFAOYSA-N |