ethyl 2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-2-methylpropanoate
Chemical Structure Depiction of
ethyl 2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-2-methylpropanoate
ethyl 2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-2-methylpropanoate
Compound characteristics
| Compound ID: | C365-0117 |
| Compound Name: | ethyl 2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-2-methylpropanoate |
| Molecular Weight: | 392.86 |
| Molecular Formula: | C17 H17 Cl N4 O3 S |
| Smiles: | CCOC(C(C)(C)SC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1626 |
| logD: | 4.1541 |
| logSw: | -4.5205 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.477 |
| InChI Key: | DWOBWBGYKPNZLJ-UHFFFAOYSA-N |