3-methyl-4-{5-[2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
3-methyl-4-{5-[2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid
3-methyl-4-{5-[2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 8018-1271 |
| Compound Name: | 3-methyl-4-{5-[2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 383.32 |
| Molecular Formula: | C18 H13 N3 O7 |
| Smiles: | Cc1cc(ccc1c1ccc(/C=C/C2=C(C(NC(N2)=O)=O)[N+]([O-])=O)o1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0741 |
| logD: | -0.161 |
| logSw: | -3.4232 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 118.386 |
| InChI Key: | VXCYJOZDAPUQLI-UHFFFAOYSA-N |