8-(4-benzylpiperazin-1-yl)-7-[(3-bromophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-benzylpiperazin-1-yl)-7-[(3-bromophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-benzylpiperazin-1-yl)-7-[(3-bromophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0246 |
| Compound Name: | 8-(4-benzylpiperazin-1-yl)-7-[(3-bromophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 523.43 |
| Molecular Formula: | C25 H27 Br N6 O2 |
| Smiles: | CN1C(c2c(nc(N3CCN(CC3)Cc3ccccc3)n2Cc2cccc(c2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5665 |
| logD: | 3.8636 |
| logSw: | -4.4019 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.238 |
| InChI Key: | VWOSALSJRAXNAJ-UHFFFAOYSA-N |