7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione
7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 6284-0013 |
| Compound Name: | 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 441.28 |
| Molecular Formula: | C20 H17 Br N4 O3 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2)[Br])Oc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8401 |
| logD: | 4.8401 |
| logSw: | -4.6671 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.752 |
| InChI Key: | QISMPSYVLIGFPX-UHFFFAOYSA-N |