3-{5-[2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
3-{5-[2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoic acid
3-{5-[2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 8017-0621 |
| Compound Name: | 3-{5-[2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 369.29 |
| Molecular Formula: | C17 H11 N3 O7 |
| Smiles: | C(=C/c1ccc(c2cccc(c2)C(O)=O)o1)\C1NC(C(=C(N=1)O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5217 |
| logD: | -5.9864 |
| logSw: | -2.8746 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.349 |
| InChI Key: | HHGFZWVOJVIELD-UHFFFAOYSA-N |