4-(2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzamide
Chemical Structure Depiction of
4-(2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzamide
4-(2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzamide
Compound characteristics
| Compound ID: | F248-0087 |
| Compound Name: | 4-(2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzamide |
| Molecular Weight: | 388.4 |
| Molecular Formula: | C16 H16 N6 O4 S |
| Smiles: | C(CO)n1c2c(cn1)C(NC(=N2)SCC(Nc1ccc(cc1)C(N)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.6132 |
| logD: | -0.6443 |
| logSw: | -2.0721 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 122.429 |
| InChI Key: | DERXMIXSMRATBT-UHFFFAOYSA-N |