1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | F831-0545 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C25 H22 N6 O S |
| Smiles: | Cc1ccc(cc1)c1cc2c3nnc(n3ccn2n1)SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0782 |
| logD: | 3.7801 |
| logSw: | -4.1838 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.365 |
| InChI Key: | JDHXSQFNNRAYTK-UHFFFAOYSA-N |