2-(2H-1,3-benzodioxol-5-yl)-4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
2-(2H-1,3-benzodioxol-5-yl)-4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-3630 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 461.5 |
| Molecular Formula: | C23 H19 N5 O4 S |
| Smiles: | C1CN(Cc2ccccc12)C(CSC1=NC(c2ccc3c(c2)OCO3)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8403 |
| logD: | 2.8403 |
| logSw: | -3.4623 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.103 |
| InChI Key: | ISNOOICXMCOCPN-UHFFFAOYSA-N |