N-(3-chloro-2-methylphenyl)-2-{[5-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{[5-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(3-chloro-2-methylphenyl)-2-{[5-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K829-0027 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{[5-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C21 H18 Cl N5 O2 S |
| Smiles: | Cc1ccccc1N1C(=Nc2c(cn[nH]2)C1=O)SCC(Nc1cccc(c1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.841 |
| logD: | 3.8398 |
| logSw: | -4.1153 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.577 |
| InChI Key: | JGWDOVXRZONVED-UHFFFAOYSA-N |