2-(3-fluorophenyl)-4-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
2-(3-fluorophenyl)-4-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
2-(3-fluorophenyl)-4-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-1112 |
| Compound Name: | 2-(3-fluorophenyl)-4-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C20 H17 F N4 O3 S |
| Smiles: | COc1ccccc1OCCSC1=NC(c2cccc(c2)F)=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0875 |
| logD: | 3.0875 |
| logSw: | -3.4392 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.068 |
| InChI Key: | XAJWYALZKFLLFG-UHFFFAOYSA-N |