2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Compound characteristics
| Compound ID: | G856-2501 |
| Compound Name: | 2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide |
| Molecular Weight: | 400.39 |
| Molecular Formula: | C17 H13 F N6 O3 S |
| Smiles: | Cc1cc(NC(CSC2NC(c3cnn(c4ccc(cc4)F)c3N=2)=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.5131 |
| logD: | 2.4502 |
| logSw: | -2.9879 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.396 |
| InChI Key: | ITJYCCGRHUUYNB-UHFFFAOYSA-N |