7-[(4-bromophenyl)methyl]-8-[(1,3-dihydroxypropan-2-yl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
					Chemical Structure Depiction of
7-[(4-bromophenyl)methyl]-8-[(1,3-dihydroxypropan-2-yl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
			7-[(4-bromophenyl)methyl]-8-[(1,3-dihydroxypropan-2-yl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D114-0013 | 
| Compound Name: | 7-[(4-bromophenyl)methyl]-8-[(1,3-dihydroxypropan-2-yl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | 
| Molecular Weight: | 438.28 | 
| Molecular Formula: | C17 H20 Br N5 O4 | 
| Smiles: | CN1C(c2c(nc(NC(CO)CO)n2Cc2ccc(cc2)[Br])N(C)C1=O)=O | 
| Stereo: | ACHIRAL | 
| logP: | 2.0956 | 
| logD: | 2.0955 | 
| logSw: | -2.6276 | 
| Hydrogen bond acceptors count: | 7 | 
| Hydrogen bond donors count: | 3 | 
| Polar surface area: | 89.257 | 
| InChI Key: | XGAUFRYSPBOAAH-UHFFFAOYSA-N | 
 
				 
				