6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione
6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | Y508-2451 |
| Compound Name: | 6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 335.27 |
| Molecular Formula: | C14 H13 N3 O7 |
| Smiles: | COc1cc(/C=C/C2=C(C(NC(N2)=O)=O)[N+]([O-])=O)cc(c1O)OC |
| Stereo: | ACHIRAL |
| logP: | 0.6207 |
| logD: | -2.4941 |
| logSw: | -2.0568 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.148 |
| InChI Key: | IKYRNCXEHOBFQO-UHFFFAOYSA-N |