7-[(2-fluorophenyl)methyl]-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-fluorophenyl)methyl]-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-fluorophenyl)methyl]-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0343 |
| Compound Name: | 7-[(2-fluorophenyl)methyl]-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C25 H27 F N6 O3 |
| Smiles: | CN1C(NC(c2c1nc(CN1CCN(CC1)c1ccc(cc1)OC)n2Cc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3395 |
| logD: | 3.3372 |
| logSw: | -3.4834 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.131 |
| InChI Key: | QRLRSONBYKFNEI-UHFFFAOYSA-N |