4-({2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}sulfanyl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
4-({2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}sulfanyl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-({2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}sulfanyl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-0066 |
| Compound Name: | 4-({2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}sulfanyl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C23 H24 N4 O2 S |
| Smiles: | CC(C)c1ccc(C)cc1OCCSC1=NC(c2ccccc2)=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.92 |
| logD: | 4.92 |
| logSw: | -4.5122 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.437 |
| InChI Key: | ASVXHJYDFGEUJB-UHFFFAOYSA-N |