6-{2-[3-methoxy-4-(2-phenylethoxy)phenyl]ethenyl}-5-nitropyrimidine-2,4-diol
Chemical Structure Depiction of
6-{2-[3-methoxy-4-(2-phenylethoxy)phenyl]ethenyl}-5-nitropyrimidine-2,4-diol
6-{2-[3-methoxy-4-(2-phenylethoxy)phenyl]ethenyl}-5-nitropyrimidine-2,4-diol
Compound characteristics
| Compound ID: | 5842-8667 |
| Compound Name: | 6-{2-[3-methoxy-4-(2-phenylethoxy)phenyl]ethenyl}-5-nitropyrimidine-2,4-diol |
| Molecular Weight: | 409.4 |
| Molecular Formula: | C21 H19 N3 O6 |
| Smiles: | COc1cc(/C=C/c2c(c(nc(n2)O)O)[N+]([O-])=O)ccc1OCCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.051 |
| logD: | -0.3458 |
| logSw: | -4.3418 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.308 |
| InChI Key: | IQCOYHDUIDQJPA-UHFFFAOYSA-N |