2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-phenylacetamide
2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | C365-0134 |
| Compound Name: | 2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 411.87 |
| Molecular Formula: | C19 H14 Cl N5 O2 S |
| Smiles: | C(C(Nc1ccccc1)=O)SC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5128 |
| logD: | 3.4498 |
| logSw: | -4.153 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.601 |
| InChI Key: | BAVGHDLRHMJYQU-UHFFFAOYSA-N |