N-(2,3-dimethylphenyl)-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(2,3-dimethylphenyl)-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F248-0032 |
| Compound Name: | N-(2,3-dimethylphenyl)-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C17 H19 N5 O3 S |
| Smiles: | Cc1cccc(c1C)NC(CSC1NC(c2cnn(CCO)c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3714 |
| logD: | 1.3404 |
| logSw: | -2.2762 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.673 |
| InChI Key: | VBFOXTOAQFHKLK-UHFFFAOYSA-N |