8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7706-0605F |
| Compound Name: | 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C22 H27 F N6 O3 |
| Smiles: | CC(C(C)=O)n1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)c1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9006 |
| logD: | 1.8987 |
| logSw: | -2.3438 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.467 |
| InChI Key: | KQRBHBIEQVNESQ-AWEZNQCLSA-N |