8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0589 |
| Compound Name: | 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 414.44 |
| Molecular Formula: | C20 H23 F N6 O3 |
| Smiles: | CC(Cn1c2C(NC(N(C)c2nc1CN1CCN(CC1)c1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0858 |
| logD: | 1.0804 |
| logSw: | -2.2062 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.194 |
| InChI Key: | VYHXWOGDGIOREP-UHFFFAOYSA-N |