methyl 2-[2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]benzoate
Chemical Structure Depiction of
methyl 2-[2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]benzoate
methyl 2-[2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]benzoate
Compound characteristics
| Compound ID: | 8005-0147 |
| Compound Name: | methyl 2-[2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]benzoate |
| Molecular Weight: | 317.26 |
| Molecular Formula: | C14 H11 N3 O6 |
| Smiles: | COC(c1ccccc1/C=C/c1c(c(nc(n1)O)O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.212 |
| logD: | -2.1848 |
| logSw: | -2.603 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.618 |
| InChI Key: | KREZSTWBWDRWCT-UHFFFAOYSA-N |