8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0633 |
| Compound Name: | 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C22 H28 N6 O4 |
| Smiles: | CC(C(C)=O)n1c2C(NC(N(C)c2nc1CN1CCN(CC1)c1ccc(cc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4385 |
| logD: | 1.4338 |
| logSw: | -2.1752 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.925 |
| InChI Key: | UGOATKSYLFTMGM-AWEZNQCLSA-N |