4-{[3-(4-chloro-3-methylphenoxy)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-methylphenoxy)propyl]sulfanyl}-2-(3-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-{[3-(4-chloro-3-methylphenoxy)propyl]sulfanyl}-2-(3-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-1129 |
| Compound Name: | 4-{[3-(4-chloro-3-methylphenoxy)propyl]sulfanyl}-2-(3-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 444.91 |
| Molecular Formula: | C21 H18 Cl F N4 O2 S |
| Smiles: | Cc1cc(ccc1[Cl])OCCCSC1=NC(c2cccc(c2)F)=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2562 |
| logD: | 5.2562 |
| logSw: | -5.8467 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.351 |
| InChI Key: | NZRPRZCFCSELRZ-UHFFFAOYSA-N |