6-{2-[4-(benzyloxy)-3-methoxyphenyl]ethenyl}-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-{2-[4-(benzyloxy)-3-methoxyphenyl]ethenyl}-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
6-{2-[4-(benzyloxy)-3-methoxyphenyl]ethenyl}-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 4071-0058 |
| Compound Name: | 6-{2-[4-(benzyloxy)-3-methoxyphenyl]ethenyl}-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 423.42 |
| Molecular Formula: | C22 H21 N3 O6 |
| Smiles: | CN1C(/C=C/c2ccc(c(c2)OC)OCc2ccccc2)=C(C(N(C)C1=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7163 |
| logD: | 3.7163 |
| logSw: | -4.1109 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.176 |
| InChI Key: | HKYUMHPDBPKOIG-UHFFFAOYSA-N |