4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-2-(furan-2-yl)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-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-2-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-3502 |
| Compound Name: | 4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-2-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C20 H17 N5 O3 S |
| Smiles: | C1CN(Cc2ccccc12)C(CSC1=NC(c2ccco2)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0427 |
| logD: | 2.0427 |
| logSw: | -2.4126 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.566 |
| InChI Key: | IOXOEVWCNBKYPE-UHFFFAOYSA-N |