2-{[5-(3-chloro-4-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide
					Chemical Structure Depiction of
2-{[5-(3-chloro-4-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide
			2-{[5-(3-chloro-4-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | K898-0289 | 
| Compound Name: | 2-{[5-(3-chloro-4-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide | 
| Molecular Weight: | 470.98 | 
| Molecular Formula: | C22 H23 Cl N6 O2 S | 
| Smiles: | CCC(C(NCc1ccco1)=O)SC1=Nc2c(C(=N)N1c1ccc(C)c(c1)[Cl])c(C)n[nH]2 | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 4.2773 | 
| logD: | -0.015 | 
| logSw: | -4.7305 | 
| Hydrogen bond acceptors count: | 7 | 
| Hydrogen bond donors count: | 3 | 
| Polar surface area: | 85.202 | 
| InChI Key: | BSGRNEDMLSWRIT-KRWDZBQOSA-N | 
 
				 
				