2-{5-[2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzonitrile
Chemical Structure Depiction of
2-{5-[2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzonitrile
2-{5-[2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzonitrile
Compound characteristics
| Compound ID: | 8017-0625 |
| Compound Name: | 2-{5-[2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzonitrile |
| Molecular Weight: | 350.29 |
| Molecular Formula: | C17 H10 N4 O5 |
| Smiles: | C(=C/c1ccc(c2ccccc2C#N)o1)\C1NC(C(=C(N=1)O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0767 |
| logD: | -6.4314 |
| logSw: | -2.9254 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.997 |
| InChI Key: | QUFBCEBHGUHEIM-UHFFFAOYSA-N |