8-{[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-9-methyl-1,9-dihydro-6H-purin-6-one
					Chemical Structure Depiction of
8-{[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-9-methyl-1,9-dihydro-6H-purin-6-one
			8-{[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-9-methyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | J095-0144 | 
| Compound Name: | 8-{[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-9-methyl-1,9-dihydro-6H-purin-6-one | 
| Molecular Weight: | 384.41 | 
| Molecular Formula: | C18 H16 N4 O4 S | 
| Smiles: | CCOc1ccc2c(c1)C(CSc1nc3C(NC=Nc3n1C)=O)=CC(=O)O2 | 
| Stereo: | ACHIRAL | 
| logP: | 1.7584 | 
| logD: | 1.7578 | 
| logSw: | -2.8642 | 
| Hydrogen bond acceptors count: | 9 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 76.043 | 
| InChI Key: | MIWXMVKEHPEFKG-UHFFFAOYSA-N | 
 
				 
				