7-[(2-bromophenyl)methyl]-1,3-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-bromophenyl)methyl]-1,3-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
7-[(2-bromophenyl)methyl]-1,3-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0462 |
| Compound Name: | 7-[(2-bromophenyl)methyl]-1,3-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 468.35 |
| Molecular Formula: | C22 H22 Br N5 O2 |
| Smiles: | CN1C(c2c(nc(NCCc3ccccc3)n2Cc2ccccc2[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4758 |
| logD: | 4.4757 |
| logSw: | -4.3252 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.688 |
| InChI Key: | OXCHKNLYAPFCAQ-UHFFFAOYSA-N |