7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8013-0439 |
| Compound Name: | 7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 358.4 |
| Molecular Formula: | C18 H22 N4 O4 |
| Smiles: | CCOc1ccc(Cn2cnc3c2C(N(C)C(N3C)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 1.44 |
| logD: | 1.44 |
| logSw: | -2.0146 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.381 |
| InChI Key: | FHXOVXVVJUDBST-UHFFFAOYSA-N |