7-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y032-2012 |
| Compound Name: | 7-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 400.41 |
| Molecular Formula: | C19 H21 F N6 O3 |
| Smiles: | CN1C(c2c(ncn2CC(N2CCN(CC2)c2ccccc2F)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7577 |
| logD: | 0.7577 |
| logSw: | -1.4522 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.312 |
| InChI Key: | CVSGHRQELTUIIA-UHFFFAOYSA-N |