2-{[5-(2-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[5-(2-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | K784-2016 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C21 H18 Cl N5 O2 S |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3c(cn[nH]3)C(N2c2ccccc2[Cl])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1987 |
| logD: | 3.197 |
| logSw: | -3.6288 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.597 |
| InChI Key: | OYWHDVMPQDRLCO-UHFFFAOYSA-N |