2-{[5-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide
2-{[5-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K781-0742 |
| Compound Name: | 2-{[5-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C19 H17 N5 O3 S2 |
| Smiles: | COc1ccccc1N1C(=Nc2c(cn[nH]2)C1=O)SCC(NCc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1213 |
| logD: | 2.1152 |
| logSw: | -2.6749 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.246 |
| InChI Key: | SYAWJKGVJRVFNB-UHFFFAOYSA-N |