2-(2-fluorophenyl)-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-fluorophenyl)-4-({2-[2-(prop-2-en-1-yl)phenoxy]ethyl}sulfanyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
2-(2-fluorophenyl)-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: | G199-0997 |
| Compound Name: | 2-(2-fluorophenyl)-4-({2-[2-(prop-2-en-1-yl)phenoxy]ethyl}sulfanyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C22 H19 F N4 O2 S |
| Smiles: | C=CCc1ccccc1OCCSC1=NC(c2ccccc2F)=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.18 |
| logD: | 4.18 |
| logSw: | -4.5117 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.437 |
| InChI Key: | JJLQUEPPNVDIOX-UHFFFAOYSA-N |