8-(4-benzoylphenoxy)-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-benzoylphenoxy)-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-benzoylphenoxy)-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8017-6000 |
| Compound Name: | 8-(4-benzoylphenoxy)-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C22 H20 N4 O4 |
| Smiles: | CCn1c2C(N(C)C(N(C)c2nc1Oc1ccc(cc1)C(c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9887 |
| logD: | 3.9887 |
| logSw: | -4.1056 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.216 |
| InChI Key: | LTAJSNARABPNFN-UHFFFAOYSA-N |