1-(2-hydroxyethyl)-6-[(3-phenylprop-2-en-1-yl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(2-hydroxyethyl)-6-[(3-phenylprop-2-en-1-yl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(2-hydroxyethyl)-6-[(3-phenylprop-2-en-1-yl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | F248-0008 |
| Compound Name: | 1-(2-hydroxyethyl)-6-[(3-phenylprop-2-en-1-yl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 328.39 |
| Molecular Formula: | C16 H16 N4 O2 S |
| Smiles: | C(CO)n1c2c(cn1)C(NC(=N2)SC/C=C/c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1817 |
| logD: | 2.1432 |
| logSw: | -2.9646 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.221 |
| InChI Key: | KILQBJNXSZVXPJ-UHFFFAOYSA-N |