7-[(2-bromophenyl)methyl]-8-(2,3-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-bromophenyl)methyl]-8-(2,3-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-bromophenyl)methyl]-8-(2,3-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0544 |
| Compound Name: | 7-[(2-bromophenyl)methyl]-8-(2,3-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 469.34 |
| Molecular Formula: | C22 H21 Br N4 O3 |
| Smiles: | Cc1cccc(c1C)Oc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.4737 |
| logD: | 5.4737 |
| logSw: | -5.5698 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.839 |
| InChI Key: | ZAGSQROPUBTBPP-UHFFFAOYSA-N |