3-ethyl-5-methylphenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
3-ethyl-5-methylphenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
3-ethyl-5-methylphenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F571-0432 |
| Compound Name: | 3-ethyl-5-methylphenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C23 H22 N4 O4 S |
| Smiles: | CCc1cc(C)cc(c1)OC(CSC1=NC(c2ccc(cc2)OC)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4125 |
| logD: | 4.4125 |
| logSw: | -4.3857 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.531 |
| InChI Key: | HCHSDGXBPBTUHO-UHFFFAOYSA-N |