1,3-diethyl-7-methyl-8-{2-[4-(5-pentylpyridin-2-yl)phenyl]ethenyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-diethyl-7-methyl-8-{2-[4-(5-pentylpyridin-2-yl)phenyl]ethenyl}-3,7-dihydro-1H-purine-2,6-dione
1,3-diethyl-7-methyl-8-{2-[4-(5-pentylpyridin-2-yl)phenyl]ethenyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | H025-3233 |
| Compound Name: | 1,3-diethyl-7-methyl-8-{2-[4-(5-pentylpyridin-2-yl)phenyl]ethenyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C28 H33 N5 O2 |
| Smiles: | CCCCCc1ccc(c2ccc(/C=C/c3nc4c(C(N(CC)C(N4CC)=O)=O)n3C)cc2)nc1 |
| Stereo: | ACHIRAL |
| logP: | 6.3883 |
| logD: | 6.3857 |
| logSw: | -5.3493 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.275 |
| InChI Key: | MLTZHTYOFKAIBP-UHFFFAOYSA-N |