4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-2-phenylpyrazolo[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-phenylpyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-2-phenylpyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-2927 |
| Compound Name: | 4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-2-phenylpyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C22 H19 N5 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(CSC1=NC(c2ccccc2)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8386 |
| logD: | 2.8386 |
| logSw: | -3.2832 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.987 |
| InChI Key: | LNVWFFFRRAXLGA-UHFFFAOYSA-N |