2-{2-[5-(4-acetylphenyl)furan-2-yl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{2-[5-(4-acetylphenyl)furan-2-yl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one
2-{2-[5-(4-acetylphenyl)furan-2-yl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8017-0627 |
| Compound Name: | 2-{2-[5-(4-acetylphenyl)furan-2-yl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one |
| Molecular Weight: | 367.32 |
| Molecular Formula: | C18 H13 N3 O6 |
| Smiles: | CC(c1ccc(cc1)c1ccc(/C=C/C2NC(C(=C(N=2)O)[N+]([O-])=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2748 |
| logD: | -6.2332 |
| logSw: | -2.8314 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.767 |
| InChI Key: | MKLNNGDKCVQPCC-UHFFFAOYSA-N |