3,4-dimethylphenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
3,4-dimethylphenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
3,4-dimethylphenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F571-0421 |
| Compound Name: | 3,4-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: | Cc1ccc(cc1C)OC(CSC1=NC(c2ccc(cc2)OC)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.932 |
| logD: | 3.932 |
| logSw: | -4.1127 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.531 |
| InChI Key: | IFNQOVMNFLRATA-UHFFFAOYSA-N |