1-(2-hydroxyethyl)-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(2-hydroxyethyl)-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(2-hydroxyethyl)-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | F248-0130 |
| Compound Name: | 1-(2-hydroxyethyl)-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 360.39 |
| Molecular Formula: | C16 H16 N4 O4 S |
| Smiles: | COc1ccc(cc1)C(CSC1NC(c2cnn(CCO)c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8505 |
| logD: | 0.8282 |
| logSw: | -2.2408 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.012 |
| InChI Key: | XFOLRARIUHXYGW-UHFFFAOYSA-N |