4-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-2-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
4-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-2-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-2-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-0419 |
| Compound Name: | 4-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-2-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C24 H26 N4 O2 S |
| Smiles: | Cc1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCCOc1ccc(cc1)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5252 |
| logD: | 5.5252 |
| logSw: | -5.3902 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.351 |
| InChI Key: | TXHIABOPDNMEKK-UHFFFAOYSA-N |