9-({4-acetyl-5-[4-(diethylamino)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}methyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
9-({4-acetyl-5-[4-(diethylamino)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}methyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
9-({4-acetyl-5-[4-(diethylamino)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}methyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | G642-0546 |
| Compound Name: | 9-({4-acetyl-5-[4-(diethylamino)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}methyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 453.5 |
| Molecular Formula: | C22 H27 N7 O4 |
| Smiles: | CCN(CC)c1ccc(cc1)C1N(C(C)=O)N=C(Cn2cnc3C(N(C)C(N(C)c23)=O)=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9964 |
| logD: | 1.8025 |
| logSw: | -2.3734 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.071 |
| InChI Key: | WHUZLBQFOOLEDC-OAQYLSRUSA-N |