N-(4-bromophenyl)-2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
					Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
			N-(4-bromophenyl)-2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K781-6513 | 
| Compound Name: | N-(4-bromophenyl)-2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide | 
| Molecular Weight: | 517.83 | 
| Molecular Formula: | C21 H18 Br Cl N6 O S | 
| Smiles: | Cc1cc(ccc1[Cl])N1C(c2c(N=C1SCC(Nc1ccc(cc1)[Br])=O)n[nH]c2C)=N | 
| Stereo: | ACHIRAL | 
| logP: | 5.3268 | 
| logD: | 0.3931 | 
| logSw: | -6.2415 | 
| Hydrogen bond acceptors count: | 6 | 
| Hydrogen bond donors count: | 3 | 
| Polar surface area: | 75.918 | 
| InChI Key: | AKYWAWLGZDAZSR-UHFFFAOYSA-N | 
 
				 
				