2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
					Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
			2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K781-0558 | 
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide | 
| Molecular Weight: | 455.92 | 
| Molecular Formula: | C21 H18 Cl N5 O3 S | 
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1)[Cl])=O)=O | 
| Stereo: | ACHIRAL | 
| logP: | 3.5693 | 
| logD: | 3.568 | 
| logSw: | -4.0513 | 
| Hydrogen bond acceptors count: | 8 | 
| Hydrogen bond donors count: | 2 | 
| Polar surface area: | 79.699 | 
| InChI Key: | DFYJYBWOHMIELL-UHFFFAOYSA-N | 
 
				 
				