7-benzyl-1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
					Chemical Structure Depiction of
7-benzyl-1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
			7-benzyl-1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-4111 | 
| Compound Name: | 7-benzyl-1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione | 
| Molecular Weight: | 424.84 | 
| Molecular Formula: | C21 H17 Cl N4 O4 | 
| Smiles: | CN1C(N(Cc2cc3c(cc2[Cl])OCO3)C(c2c1ncn2Cc1ccccc1)=O)=O | 
| Stereo: | ACHIRAL | 
| logP: | 3.21 | 
| logD: | 3.21 | 
| logSw: | -3.3066 | 
| Hydrogen bond acceptors count: | 7 | 
| Polar surface area: | 60.039 | 
| InChI Key: | UWJGCJVTGIJMTK-UHFFFAOYSA-N | 
 
				 
				