1-(2-hydroxyethyl)-6-{[(naphthalen-1-yl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(2-hydroxyethyl)-6-{[(naphthalen-1-yl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(2-hydroxyethyl)-6-{[(naphthalen-1-yl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | F248-0107 |
| Compound Name: | 1-(2-hydroxyethyl)-6-{[(naphthalen-1-yl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 352.41 |
| Molecular Formula: | C18 H16 N4 O2 S |
| Smiles: | C(CO)n1c2c(cn1)C(NC(=N2)SCc1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5731 |
| logD: | 2.5559 |
| logSw: | -3.1629 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.949 |
| InChI Key: | VTTJCWGIEZHRRS-UHFFFAOYSA-N |