4-chlorophenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
4-chlorophenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
4-chlorophenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F571-0437 |
| Compound Name: | 4-chlorophenyl {[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 442.88 |
| Molecular Formula: | C20 H15 Cl N4 O4 S |
| Smiles: | COc1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCC(=O)Oc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5764 |
| logD: | 3.5764 |
| logSw: | -4.2995 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.531 |
| InChI Key: | ABFUZRRGTGHTEZ-UHFFFAOYSA-N |