4-methylphenyl {[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
4-methylphenyl {[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
4-methylphenyl {[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F571-0678 |
| Compound Name: | 4-methylphenyl {[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C22 H20 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCC(=O)Oc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7916 |
| logD: | 3.7916 |
| logSw: | -3.8781 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.111 |
| InChI Key: | AQPCQXWWAYPUNK-UHFFFAOYSA-N |