1,3-diethyl-8-{2-[4-(2-{4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl}-2-oxoethoxy)phenyl]ethenyl}-7-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-diethyl-8-{2-[4-(2-{4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl}-2-oxoethoxy)phenyl]ethenyl}-7-methyl-3,7-dihydro-1H-purine-2,6-dione
1,3-diethyl-8-{2-[4-(2-{4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl}-2-oxoethoxy)phenyl]ethenyl}-7-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | H025-3245 |
| Compound Name: | 1,3-diethyl-8-{2-[4-(2-{4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl}-2-oxoethoxy)phenyl]ethenyl}-7-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 668.73 |
| Molecular Formula: | C35 H37 F N8 O5 |
| Smiles: | CCN1C(c2c(nc(/C=C/c3ccc(cc3)OCC(N3CCN(CC3)c3cc(c4cc(ccc4OC)F)ncn3)=O)n2C)N(CC)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5391 |
| logD: | 4.537 |
| logSw: | -4.4292 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 97.921 |
| InChI Key: | PSCVLUFFJYBHIY-UHFFFAOYSA-N |