4-methoxyphenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
4-methoxyphenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
4-methoxyphenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F571-0435 |
| Compound Name: | 4-methoxyphenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C21 H18 N4 O5 S |
| Smiles: | COc1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCC(=O)Oc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.964 |
| logD: | 2.964 |
| logSw: | -3.5029 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.075 |
| InChI Key: | GJKYUKXDEWLYJU-UHFFFAOYSA-N |