7-[(4-bromophenyl)methyl]-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-bromophenyl)methyl]-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-bromophenyl)methyl]-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0145 |
| Compound Name: | 7-[(4-bromophenyl)methyl]-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 558.48 |
| Molecular Formula: | C29 H28 Br N5 O2 |
| Smiles: | CN1C(c2c(nc(CN(Cc3ccccc3)Cc3ccccc3)n2Cc2ccc(cc2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7725 |
| logD: | 5.7723 |
| logSw: | -5.5167 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.121 |
| InChI Key: | DJQGPFLGSLCNIS-UHFFFAOYSA-N |