4-(2-methylbutan-2-yl)phenyl {[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
4-(2-methylbutan-2-yl)phenyl {[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
4-(2-methylbutan-2-yl)phenyl {[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F571-0228 |
| Compound Name: | 4-(2-methylbutan-2-yl)phenyl {[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 482.99 |
| Molecular Formula: | C24 H23 Cl N4 O3 S |
| Smiles: | CCC(C)(C)c1ccc(cc1)OC(CSC1=NC(c2ccc(cc2)[Cl])=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5719 |
| logD: | 5.5719 |
| logSw: | -5.981 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.987 |
| InChI Key: | HTXROJXMEKIMAQ-UHFFFAOYSA-N |