2-{5-[2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
2-{5-[2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid
2-{5-[2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 8017-3676 |
| Compound Name: | 2-{5-[2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 369.29 |
| Molecular Formula: | C17 H11 N3 O7 |
| Smiles: | C(=C/c1ccc(c2ccccc2C(O)=O)o1)\C1=C(C(NC(N1)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1839 |
| logD: | -1.8689 |
| logSw: | -2.7958 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 118.386 |
| InChI Key: | XHNFNUMONNFFCJ-UHFFFAOYSA-N |