2-(4-chlorophenyl)-4-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-4-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
2-(4-chlorophenyl)-4-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-0653 |
| Compound Name: | 2-(4-chlorophenyl)-4-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 426.92 |
| Molecular Formula: | C21 H19 Cl N4 O2 S |
| Smiles: | Cc1cc(C)cc(c1)OCCSC1=NC(c2ccc(cc2)[Cl])=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7852 |
| logD: | 4.7852 |
| logSw: | -4.8298 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.351 |
| InChI Key: | YTJGEWIWUCODDN-UHFFFAOYSA-N |