N-(5-chloro-2-methoxyphenyl)-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(5-chloro-2-methoxyphenyl)-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F248-0153 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 409.85 |
| Molecular Formula: | C16 H16 Cl N5 O4 S |
| Smiles: | COc1ccc(cc1NC(CSC1NC(c2cnn(CCO)c2N=1)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 0.9938 |
| logD: | 0.9627 |
| logSw: | -2.7457 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.303 |
| InChI Key: | GVCCLKKWEIMREU-UHFFFAOYSA-N |