methyl 4-{4-[2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{4-[2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoate
methyl 4-{4-[2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 3030-5325 |
| Compound Name: | methyl 4-{4-[2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoate |
| Molecular Weight: | 383.32 |
| Molecular Formula: | C18 H13 N3 O7 |
| Smiles: | COC(c1ccc(cc1)c1cc(/C=C/C2=C(C(NC(N2)=O)=O)[N+]([O-])=O)co1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4859 |
| logD: | -0.6288 |
| logSw: | -3.0303 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.248 |
| InChI Key: | YVAMVHYYRAKPOR-UHFFFAOYSA-N |