6-[2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-[2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione
6-[2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 8016-2509 |
| Compound Name: | 6-[2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 398.17 |
| Molecular Formula: | C14 H12 Br N3 O6 |
| Smiles: | COc1cc(/C=C/C2=C(C(NC(N2)=O)=O)[N+]([O-])=O)cc(c1OC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.1164 |
| logD: | -0.9983 |
| logSw: | -2.7993 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.755 |
| InChI Key: | CRYUKTOYWWHZJZ-UHFFFAOYSA-N |