4-{[3-(4-chloro-3,5-dimethylphenoxy)propyl]sulfanyl}-2-(3-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
4-{[3-(4-chloro-3,5-dimethylphenoxy)propyl]sulfanyl}-2-(3-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-{[3-(4-chloro-3,5-dimethylphenoxy)propyl]sulfanyl}-2-(3-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-1133 |
| Compound Name: | 4-{[3-(4-chloro-3,5-dimethylphenoxy)propyl]sulfanyl}-2-(3-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 458.94 |
| Molecular Formula: | C22 H20 Cl F N4 O2 S |
| Smiles: | Cc1cc(cc(C)c1[Cl])OCCCSC1=NC(c2cccc(c2)F)=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6077 |
| logD: | 5.6077 |
| logSw: | -6.0366 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.351 |
| InChI Key: | YESCQWWILWAHNY-UHFFFAOYSA-N |