2-{[5-(3-chloro-4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-chloro-4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
2-{[5-(3-chloro-4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | K829-0155 |
| Compound Name: | 2-{[5-(3-chloro-4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-chlorophenyl)acetamide |
| Molecular Weight: | 460.34 |
| Molecular Formula: | C20 H15 Cl2 N5 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])N1C(=Nc2c(cn[nH]2)C1=O)SCC(Nc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9112 |
| logD: | 3.91 |
| logSw: | -4.1338 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.878 |
| InChI Key: | NAXOQPVCLGPKMX-UHFFFAOYSA-N |