4-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-2-(3-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
4-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-2-(3-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-2-(3-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-1117 |
| Compound Name: | 4-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-2-(3-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C21 H19 F N4 O2 S |
| Smiles: | Cc1cc(C)cc(c1)OCCSC1=NC(c2cccc(c2)F)=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2874 |
| logD: | 4.2874 |
| logSw: | -4.3399 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.351 |
| InChI Key: | AEQIEQSJCCHVNZ-UHFFFAOYSA-N |