1,7-dibenzyl-8-chloro-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,7-dibenzyl-8-chloro-3-methyl-3,7-dihydro-1H-purine-2,6-dione
1,7-dibenzyl-8-chloro-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 2713-0079 |
| Compound Name: | 1,7-dibenzyl-8-chloro-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 380.83 |
| Molecular Formula: | C20 H17 Cl N4 O2 |
| Smiles: | CN1C(N(Cc2ccccc2)C(c2c1nc(n2Cc1ccccc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0172 |
| logD: | 4.0172 |
| logSw: | -4.3196 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.886 |
| InChI Key: | HRDOCLVEAWYEGD-UHFFFAOYSA-N |