4-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-2-(2-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
4-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-2-(2-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-2-(2-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
Compound ID: | G199-0935 |
Compound Name: | 4-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-2-(2-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
Molecular Weight: | 435.48 |
Molecular Formula: | C22 H18 F N5 O2 S |
Smiles: | C1Cc2ccccc2N(C1)C(CSC1=NC(c2ccccc2F)=NC2=CC(NN12)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.0788 |
logD: | 3.0788 |
logSw: | -3.681 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.99 |
InChI Key: | MBVUXQZZATXXHE-UHFFFAOYSA-N |