4-{[3-(3,4-dimethylphenoxy)propyl]sulfanyl}-2-(3-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
4-{[3-(3,4-dimethylphenoxy)propyl]sulfanyl}-2-(3-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-{[3-(3,4-dimethylphenoxy)propyl]sulfanyl}-2-(3-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-1123 |
| Compound Name: | 4-{[3-(3,4-dimethylphenoxy)propyl]sulfanyl}-2-(3-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H21 F N4 O2 S |
| Smiles: | Cc1ccc(cc1C)OCCCSC1=NC(c2cccc(c2)F)=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0132 |
| logD: | 5.0132 |
| logSw: | -4.6759 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.351 |
| InChI Key: | KAJLVTJENNLFIM-UHFFFAOYSA-N |