4-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-2-(2-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
4-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-2-(2-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-2-(2-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-0535 |
| Compound Name: | 4-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-2-(2-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 454.98 |
| Molecular Formula: | C23 H23 Cl N4 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCCSC1=NC(c2ccccc2[Cl])=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.515 |
| logD: | 5.515 |
| logSw: | -5.7073 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.351 |
| InChI Key: | GVJKXHNEQYKAQS-UHFFFAOYSA-N |