2-(2-chlorophenyl)-4-({2-[2-(prop-2-en-1-yl)phenoxy]ethyl}sulfanyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
2-(2-chlorophenyl)-4-({2-[2-(prop-2-en-1-yl)phenoxy]ethyl}sulfanyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
2-(2-chlorophenyl)-4-({2-[2-(prop-2-en-1-yl)phenoxy]ethyl}sulfanyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
Compound ID: | G199-0533 |
Compound Name: | 2-(2-chlorophenyl)-4-({2-[2-(prop-2-en-1-yl)phenoxy]ethyl}sulfanyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
Molecular Weight: | 438.93 |
Molecular Formula: | C22 H19 Cl N4 O2 S |
Smiles: | C=CCc1ccccc1OCCSC1=NC(c2ccccc2[Cl])=NC2=CC(NN12)=O |
Stereo: | ACHIRAL |
logP: | 4.6715 |
logD: | 4.6715 |
logSw: | -4.8868 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.437 |
InChI Key: | GGZZABAUETVZOF-UHFFFAOYSA-N |