2-methylphenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
2-methylphenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
2-methylphenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F571-0429 |
| Compound Name: | 2-methylphenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C21 H18 N4 O4 S |
| Smiles: | Cc1ccccc1OC(CSC1=NC(c2ccc(cc2)OC)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1343 |
| logD: | 3.1343 |
| logSw: | -3.5032 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.618 |
| InChI Key: | APFQNJJYVULJHU-UHFFFAOYSA-N |