4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-2-(4-ethoxyphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-2-(4-ethoxyphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-2-(4-ethoxyphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-3718 |
| Compound Name: | 4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-2-(4-ethoxyphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C24 H23 N5 O3 S |
| Smiles: | CCOc1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCC(N1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3126 |
| logD: | 3.3126 |
| logSw: | -3.372 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.111 |
| InChI Key: | WSUWUXCUPMIJPQ-UHFFFAOYSA-N |