8-bromo-1,3-dimethyl-7-(1-oxo-1-phenylhexan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-bromo-1,3-dimethyl-7-(1-oxo-1-phenylhexan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
8-bromo-1,3-dimethyl-7-(1-oxo-1-phenylhexan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8019-3513 |
| Compound Name: | 8-bromo-1,3-dimethyl-7-(1-oxo-1-phenylhexan-2-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 433.3 |
| Molecular Formula: | C19 H21 Br N4 O3 |
| Smiles: | CCCCC(C(c1ccccc1)=O)n1c2C(N(C)C(N(C)c2nc1[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0354 |
| logD: | 4.0354 |
| logSw: | -3.9757 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.323 |
| InChI Key: | HRBSDSMVOCULSW-ZDUSSCGKSA-N |