phenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
phenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
phenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F571-0419 |
| Compound Name: | phenyl {[2-(4-methoxyphenyl)-7-oxo-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)C1=NC2=CC(NN2C(=N1)SCC(=O)Oc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9531 |
| logD: | 2.9531 |
| logSw: | -3.5098 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.531 |
| InChI Key: | CLWIXNMAYVZHOQ-UHFFFAOYSA-N |