8-bromo-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-bromo-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-bromo-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8011-9012 |
| Compound Name: | 8-bromo-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 407.22 |
| Molecular Formula: | C16 H15 Br N4 O4 |
| Smiles: | CN1C(c2c(nc(n2CC(c2cccc(c2)OC)=O)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5399 |
| logD: | 2.5399 |
| logSw: | -2.7196 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.095 |
| InChI Key: | WDSDTXQQEJFDOK-UHFFFAOYSA-N |