8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8011-0091 |
| Compound Name: | 8-chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 332.74 |
| Molecular Formula: | C15 H13 Cl N4 O3 |
| Smiles: | CN1C(c2c(nc(n2CC(c2ccccc2)=O)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0769 |
| logD: | 2.0769 |
| logSw: | -2.8145 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.17 |
| InChI Key: | BEJOWNALIUYQPQ-UHFFFAOYSA-N |