4-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-2-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
4-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-2-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-2-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-0421 |
| Compound Name: | 4-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-2-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | Cc1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCCOc1cc(C)cc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6138 |
| logD: | 4.6138 |
| logSw: | -4.3662 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.351 |
| InChI Key: | IVZFHMGICZGMJH-UHFFFAOYSA-N |