2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | F248-0075 |
| Compound Name: | 2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C17 H16 N6 O3 S2 |
| Smiles: | Cc1ccc2c(c1)sc(NC(CSC1NC(c3cnn(CCO)c3N=1)=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 1.8993 |
| logD: | 1.8682 |
| logSw: | -2.7256 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.132 |
| InChI Key: | BDMMWKVKNGXSSC-UHFFFAOYSA-N |