N-(4-acetamidophenyl)-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(4-acetamidophenyl)-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F248-0063 |
| Compound Name: | N-(4-acetamidophenyl)-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 402.43 |
| Molecular Formula: | C17 H18 N6 O4 S |
| Smiles: | CC(Nc1ccc(cc1)NC(CSC1NC(c2cnn(CCO)c2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0579 |
| logD: | -0.0889 |
| logSw: | -2.1171 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 111.632 |
| InChI Key: | NXIDQGYVEJNDFU-UHFFFAOYSA-N |