7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(2-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(2-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione
7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(2-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0296 |
| Compound Name: | 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(2-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 455.31 |
| Molecular Formula: | C21 H19 Br N4 O3 |
| Smiles: | Cc1ccccc1Oc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.988 |
| logD: | 4.988 |
| logSw: | -4.842 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.839 |
| InChI Key: | GLPQQWMKPFZSDU-UHFFFAOYSA-N |