6-{2-[2-(benzyloxy)-5-bromo-3-methoxyphenyl]ethenyl}-5-nitropyrimidine-2,4-diol
Chemical Structure Depiction of
6-{2-[2-(benzyloxy)-5-bromo-3-methoxyphenyl]ethenyl}-5-nitropyrimidine-2,4-diol
6-{2-[2-(benzyloxy)-5-bromo-3-methoxyphenyl]ethenyl}-5-nitropyrimidine-2,4-diol
Compound characteristics
| Compound ID: | 5842-8669 |
| Compound Name: | 6-{2-[2-(benzyloxy)-5-bromo-3-methoxyphenyl]ethenyl}-5-nitropyrimidine-2,4-diol |
| Molecular Weight: | 474.27 |
| Molecular Formula: | C20 H16 Br N3 O6 |
| Smiles: | COc1cc(cc(/C=C/c2c(c(nc(n2)O)O)[N+]([O-])=O)c1OCc1ccccc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6122 |
| logD: | 0.2154 |
| logSw: | -4.688 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.476 |
| InChI Key: | DJXAUZSBEAAWOP-UHFFFAOYSA-N |