2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F248-0086 |
| Compound Name: | 2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C17 H19 N5 O3 S |
| Smiles: | Cc1ccc(CNC(CSC2NC(c3cnn(CCO)c3N=2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 0.8456 |
| logD: | 0.8146 |
| logSw: | -2.2396 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.692 |
| InChI Key: | YHANWTBNISIDQU-UHFFFAOYSA-N |