ethyl 4-({[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-({[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetyl)piperazine-1-carboxylate
ethyl 4-({[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C099-0331 |
| Compound Name: | ethyl 4-({[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetyl)piperazine-1-carboxylate |
| Molecular Weight: | 460.49 |
| Molecular Formula: | C20 H21 F N6 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(CSC1NC(c2cnn(c3ccc(cc3)F)c2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9395 |
| logD: | 1.8765 |
| logSw: | -2.6418 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.624 |
| InChI Key: | CJTRTCDEZHTDJQ-UHFFFAOYSA-N |