7-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y031-7063 |
| Compound Name: | 7-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 414.44 |
| Molecular Formula: | C20 H23 F N6 O3 |
| Smiles: | CN1C(c2c(ncn2CCC(N2CCN(CC2)c2ccc(cc2)F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9474 |
| logD: | 0.9474 |
| logSw: | -1.6204 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.592 |
| InChI Key: | YQHWSWFGMMEYCX-UHFFFAOYSA-N |