7-[(2-bromophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-bromophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-bromophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0352 |
| Compound Name: | 7-[(2-bromophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 349.18 |
| Molecular Formula: | C14 H13 Br N4 O2 |
| Smiles: | CN1C(c2c(ncn2Cc2ccccc2[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1431 |
| logD: | 2.1431 |
| logSw: | -2.2886 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.96 |
| InChI Key: | FQAKWEDHWDSSKX-UHFFFAOYSA-N |