4-{[3-(4-chloro-3,5-dimethylphenoxy)propyl]sulfanyl}-2-(thiophen-2-yl)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-(thiophen-2-yl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-{[3-(4-chloro-3,5-dimethylphenoxy)propyl]sulfanyl}-2-(thiophen-2-yl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-1945 |
| Compound Name: | 4-{[3-(4-chloro-3,5-dimethylphenoxy)propyl]sulfanyl}-2-(thiophen-2-yl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 446.98 |
| Molecular Formula: | C20 H19 Cl N4 O2 S2 |
| Smiles: | Cc1cc(cc(C)c1[Cl])OCCCSC1=NC(c2cccs2)=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3477 |
| logD: | 5.3477 |
| logSw: | -5.8484 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.369 |
| InChI Key: | OSSNJYORTYIJOP-UHFFFAOYSA-N |