2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-methylacetamide
Chemical Structure Depiction of
2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-methylacetamide
2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-methylacetamide
Compound characteristics
| Compound ID: | G873-0149 |
| Compound Name: | 2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-methylacetamide |
| Molecular Weight: | 349.8 |
| Molecular Formula: | C14 H12 Cl N5 O2 S |
| Smiles: | CNC(CSC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6052 |
| logD: | 1.5422 |
| logSw: | -2.9358 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.345 |
| InChI Key: | VLPYGMSDAYAUNS-UHFFFAOYSA-N |