2,6-dimethylphenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
2,6-dimethylphenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
2,6-dimethylphenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F571-0441 |
| Compound Name: | 2,6-dimethylphenyl {[2-(4-methoxyphenyl)-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: | Cc1cccc(C)c1OC(CSC1=NC(c2ccc(cc2)OC)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7749 |
| logD: | 3.7749 |
| logSw: | -4.1772 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.704 |
| InChI Key: | XENJOSHXGOECTP-UHFFFAOYSA-N |