7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
					Chemical Structure Depiction of
7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
			7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3448-5590 | 
| Compound Name: | 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione | 
| Molecular Weight: | 452.32 | 
| Molecular Formula: | C17 H15 Cl2 N7 O2 S | 
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(c(c2)[Cl])[Cl])Sc2nncn2C)N(C)C1=O)=O | 
| Stereo: | ACHIRAL | 
| logP: | 3.491 | 
| logD: | 3.491 | 
| logSw: | -3.7419 | 
| Hydrogen bond acceptors count: | 8 | 
| Polar surface area: | 68.78 | 
| InChI Key: | VVNNQZMQMRRSMX-UHFFFAOYSA-N | 
 
				 
				