7-[(2-chloro-6-fluorophenyl)methyl]-8-(ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
					Chemical Structure Depiction of
7-[(2-chloro-6-fluorophenyl)methyl]-8-(ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
			7-[(2-chloro-6-fluorophenyl)methyl]-8-(ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4137-0188 | 
| Compound Name: | 7-[(2-chloro-6-fluorophenyl)methyl]-8-(ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | 
| Molecular Weight: | 382.84 | 
| Molecular Formula: | C16 H16 Cl F N4 O2 S | 
| Smiles: | CCSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1c(cccc1[Cl])F | 
| Stereo: | ACHIRAL | 
| logP: | 3.9926 | 
| logD: | 3.9926 | 
| logSw: | -4.3057 | 
| Hydrogen bond acceptors count: | 6 | 
| Polar surface area: | 43.286 | 
| InChI Key: | VKTGIZQCQPSIIT-UHFFFAOYSA-N | 
 
				 
				