8-({1-[(3-bromophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-({1-[(3-bromophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-({1-[(3-bromophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-2625 |
| Compound Name: | 8-({1-[(3-bromophenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 511.4 |
| Molecular Formula: | C22 H19 Br N6 O2 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nc3ccccc3n2Cc2cccc(c2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.106 |
| logD: | 5.1045 |
| logSw: | -5.0168 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.607 |
| InChI Key: | SNNDXNGLXSCBDO-UHFFFAOYSA-N |