4-chlorophenyl [(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetate
Chemical Structure Depiction of
4-chlorophenyl [(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetate
4-chlorophenyl [(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | F571-0019 |
| Compound Name: | 4-chlorophenyl [(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetate |
| Molecular Weight: | 412.85 |
| Molecular Formula: | C19 H13 Cl N4 O3 S |
| Smiles: | C(C(=O)Oc1ccc(cc1)[Cl])SC1=NC(c2ccccc2)=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4889 |
| logD: | 3.4889 |
| logSw: | -4.2413 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.987 |
| InChI Key: | FLQZKDICKWDGHI-UHFFFAOYSA-N |