ethyl 4-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
					Chemical Structure Depiction of
ethyl 4-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
			ethyl 4-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
Compound characteristics
| Compound ID: | D624-0010 | 
| Compound Name: | ethyl 4-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate | 
| Molecular Weight: | 404.49 | 
| Molecular Formula: | C22 H20 N4 O2 S | 
| Smiles: | CCOC(c1ccc(cc1)Nc1c(C#N)c(c2ccc(C)cc2)nc(n1)SC)=O | 
| Stereo: | ACHIRAL | 
| logP: | 5.7577 | 
| logD: | 5.7577 | 
| logSw: | -5.5727 | 
| Hydrogen bond acceptors count: | 7 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 65.393 | 
| InChI Key: | KXQYWQWVPOQFBD-UHFFFAOYSA-N | 
 
				 
				